S-[5-[(2-cyanophenyl)methyl-(phenylcarbonyl)amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate

Systemtic Name: S-[5-[(2-cyanophenyl)methyl-(phenylcarbonyl)amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate Openeye Name: S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl] ester IUPAC Name: S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-[benzoyl-(2-cyanobenzyl)amino]-1,2,4-thiadiazol-3-yl] ester Formula: C24H16N4O2S2 MolecularWeight: 456.53944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2C#N)C3=NC(=NS3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2C#N)C3=NC(=NS3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H16N4O2S2/c25-15-19-13-7-8-14-20(19)16-28(21(29)17-9-3-1-4-10-17)24-26-23(27-32-24)31-22(30)18-11-5-2-6-12-18/h1-14H,16H2