2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C33H30ClN5OS MolecularWeight: 580.1422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6Cl

InChI

InChI=1S/C33H30ClN5OS/c34-29-19-11-10-18-28(29)32-35-36-33(39(32)27-16-8-3-9-17-27)41-24-30(40)37-20-22-38(23-21-37)31(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-19,31H,20-24H2