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

Systemtic Name: 2-[4-methyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-methyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-methyl-5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-methyl-5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-13-5-3-4-6-16(13)22-18(27)11-17-23-24-20(25(17)2)31-12-19(28)21-14-7-9-15(10-8-14)26(29)30/h3-10H,11-12H2,1-2H3,(H,21,28)(H,22,27)