Name: Name:4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-nitrobenzamide
Brand: Angene
SKU: AG01DUZ9
Rating: 90 (10 reviews)

4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-nitrobenzamide

CAS No.:

1110949-41-1

Catalog Number:

AG01DUZ9

Molecular Formula:

C17H16N6O3S

Molecular Weight:

384.4123

Catalog Number:

AG01DUZ9

Chemical Name:

4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-nitrobenzamide

CAS Number:

1110949-41-1

Molecular Formula:

C17H16N6O3S

Molecular Weight:

384.4123

MDL Number:

MFCD11772834

IUPAC Name:

4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitrobenzamide

InChI:

InChI=1S/C17H16N6O3S/c1-2-22-16(11-5-7-19-8-6-11)20-21-17(22)27-10-13-4-3-12(15(18)24)9-14(13)23(25)26/h3-9H,2,10H2,1H3,(H2,18,24)

InChI Key:

IZSOGPPIOGORAE-UHFFFAOYSA-N

SMILES:

CCn1c(SCc2ccc(cc2[N+](=O)[O-])C(=O)N)nnc1c1ccncc1

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

384.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

384.414g/mol

Monoisotopic Mass:

384.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

158A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4