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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C33H37N5OS MolecularWeight: 551.74478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H37N5OS/c39-30(25-40-33-35-34-32(28-17-9-3-10-18-28)38(33)29-19-11-4-12-20-29)36-21-23-37(24-22-36)31(26-13-5-1-6-14-26)27-15-7-2-8-16-27/h1-3,5-10,13-18,29,31H,4,11-12,19-25H2