Name: Name:2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019IUQ
Rating: 90 (10 reviews)

2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

333418-51-2

Catalog Number:

AG019IUQ

Molecular Formula:

C15H12N4O2S

Molecular Weight:

312.3464

Catalog Number:

AG019IUQ

Chemical Name:

2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

333418-51-2

Molecular Formula:

C15H12N4O2S

Molecular Weight:

312.3464

MDL Number:

MFCD02742230

IUPAC Name:

2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C15H12N4O2S/c20-13(21)10-22-15-18-17-14(11-5-4-8-16-9-11)19(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21)

InChI Key:

HPCOXEMGPUKOLL-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1c1ccccc1)c1cccnc1

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.347g/mol

Monoisotopic Mass:

312.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1