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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c1-24-14-8-6-13(7-9-14)19-15(23)12-4-2-11(3-5-12)10-25-17-20-16(18)21-22-17/h2-9H,10H2,1H3,(H,19,23)(H3,18,20,21,22)