3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C16H16N6OS/c17-15-20-16(22-21-15)24-10-12-2-1-3-13(8-12)14(23)19-9-11-4-6-18-7-5-11/h1-8H,9-10H2,(H,19,23)(H3,17,20,21,22)