3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(6-methoxypyridin-3-yl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(6-methoxypyridin-3-yl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(6-methoxy-3-pyridyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(6-methoxy-3-pyridinyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(6-methoxypyridin-3-yl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(6-methoxy-3-pyridyl)benzamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H16N6O2S/c1-24-13-6-5-12(8-18-13)19-14(23)11-4-2-3-10(7-11)9-25-16-20-15(17)21-22-16/h2-8H,9H2,1H3,(H,19,23)(H3,17,20,21,22)