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

Systemtic Name: 4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C29H26N4O3S2 MolecularWeight: 542.67174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3S2/c1-36-26-16-12-24(13-17-26)28-30-31-29(37)33(28)25-14-18-27(19-15-25)38(34,35)32(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23/h2-19H,20-21H2,1H3,(H,31,37)