methyl 2-[2-[[4-(2,4-dimethylphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[4-(2,4-dimethylphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-(2,4-dimethylphenyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(2,4-dimethylphenyl)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C26H24N4O4S/c1-16-12-13-21(17(2)14-16)30-24(19-9-5-7-11-22(19)31)28-29-26(30)35-15-23(32)27-20-10-6-4-8-18(20)25(33)34-3/h4-14,28H,15H2,1-3H3,(H,27,32)