N-(2-ethyl-6-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-3-17-11-7-8-15(2)19(17)22-18(26)14-28-21-24-23-20(27)25(21)13-12-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)