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

Systemtic Name: methyl 4-[2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H19BrN4O3S MolecularWeight: 523.40166

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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=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN4O3S/c1-32-23(31)17-9-13-19(14-10-17)26-21(30)15-28-24(33)29(20-5-3-2-4-6-20)22(27-28)16-7-11-18(25)12-8-16/h2-14H,15H2,1H3,(H,26,30)