2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-methyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-13-6-3-4-9-16(13)21-19(27)11-18-22-23-20(24(18)2)30-12-17(26)14-7-5-8-15(10-14)25(28)29/h3-10H,11-12H2,1-2H3,(H,21,27)