2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(benzylcarbamoyl)acetamide Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O2S/c13-10-16-12(18-17-10)21-7-9(19)15-11(20)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,13,16,17,18)(H2,14,15,19,20)