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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[5-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C24H26N6O4S MolecularWeight: 494.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)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(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C24H26N6O4S/c1-5-10-29-21(13-22(31)25-18-8-6-15(2)17(4)11-18)27-28-24(29)35-14-23(32)26-20-12-19(30(33)34)9-7-16(20)3/h5-9,11-12H,1,10,13-14H2,2-4H3,(H,25,31)(H,26,32)