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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O2S/c1-7(18)8-2-4-9(5-3-8)14-10(19)6-20-12-15-11(13)16-17-12/h2-5H,6H2,1H3,(H,14,19)(H3,13,15,16,17)