Name: Name:2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Brand: Angene
SKU: AG01A0R3
Rating: 90 (10 reviews)

2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

CAS No.:

893727-15-6

Catalog Number:

AG01A0R3

Molecular Formula:

C15H13ClN6OS

Molecular Weight:

360.8213

Catalog Number:

AG01A0R3

Chemical Name:

2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

CAS Number:

893727-15-6

Molecular Formula:

C15H13ClN6OS

Molecular Weight:

360.8213

MDL Number:

MFCD07364333

IUPAC Name:

2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide

InChI:

InChI=1S/C15H13ClN6OS/c16-11-1-3-12(4-2-11)22-14(10-5-7-18-8-6-10)20-21-15(22)24-9-13(23)19-17/h1-8H,9,17H2,(H,19,23)

InChI Key:

NKPSRVICUUYUHA-UHFFFAOYSA-N

SMILES:

NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.82g/mol

Monoisotopic Mass:

360.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7