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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N

InChI

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