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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-pentanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C31H35N5OS MolecularWeight: 525.7075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5OS/c1-25-32-33-31(36(25)28-17-9-4-10-18-28)38-24-12-11-19-29(37)34-20-22-35(23-21-34)30(26-13-5-2-6-14-26)27-15-7-3-8-16-27/h2-10,13-18,30H,11-12,19-24H2,1H3