4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C28H23ClN4O2S2 MolecularWeight: 547.09082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=NNC(=S)N4C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=NNC(=S)N4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H23ClN4O2S2/c29-24-13-15-25(16-14-24)33-27(30-31-28(33)36)23-11-17-26(18-12-23)37(34,35)32(19-21-7-3-1-4-8-21)20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,31,36)