(2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C12H14N6O2S/c1-14-11(20)15-9(19)8(7-5-3-2-4-6-7)21-12-16-10(13)17-18-12/h2-6,8H,1H3,(H3,13,16,17,18)(H2,14,15,19,20)/t8-/m0/s1