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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O4S/c1-13-4-9-17(14(2)10-13)23-19(28)11-18-24-25-21(26(18)3)32-12-20(29)22-15-5-7-16(8-6-15)27(30)31/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)