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

Systemtic Name: methyl 4-[2-[3-(2-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(2-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(2-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(2-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(2-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H19ClN4O3S MolecularWeight: 478.95066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H19ClN4O3S/c1-32-23(31)16-11-13-17(14-12-16)26-21(30)15-28-24(33)29(18-7-3-2-4-8-18)22(27-28)19-9-5-6-10-20(19)25/h2-14H,15H2,1H3,(H,26,30)