methyl 4-[2-[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-17-7-6-10-21(15-17)29-23(18-8-4-3-5-9-18)27-28(25(29)33)16-22(30)26-20-13-11-19(12-14-20)24(31)32-2/h3-15H,16H2,1-2H3,(H,26,30)