1-[4-(diphenylmethyl)piperazin-1-yl]-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C36H37N5O2S MolecularWeight: 603.77628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H37N5O2S/c1-43-32-21-19-31(20-22-32)41-35(30-16-9-4-10-17-30)37-38-36(41)44-27-11-18-33(42)39-23-25-40(26-24-39)34(28-12-5-2-6-13-28)29-14-7-3-8-15-29/h2-10,12-17,19-22,34H,11,18,23-27H2,1H3