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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[5-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O4S/c1-13-5-7-16(9-15(13)3)23-20(29)11-19-25-26-22(27(19)4)33-12-21(30)24-18-10-17(28(31)32)8-6-14(18)2/h5-10H,11-12H2,1-4H3,(H,23,29)(H,24,30)