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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(benzylcarbamoyl)acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C13H16N6O2S/c1-9-17-18-13(19(9)14)22-8-11(20)16-12(21)15-7-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H2,15,16,20,21)