N-(3-ethanoylphenyl)-2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-acetylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-acetylphenyl)-2-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NNC(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NNC(=O)N2C

InChI

InChI=1S/C14H16N4O3S/c1-8(19)10-5-4-6-11(7-10)15-12(20)9(2)22-14-17-16-13(21)18(14)3/h4-7,9H,1-3H3,(H,15,20)(H,16,21)