4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-benzylpiperidino)-4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C30H31ClN4OS MolecularWeight: 531.11134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C30H31ClN4OS/c31-27-15-8-7-14-26(27)29-32-33-30(35(29)25-12-5-2-6-13-25)37-21-9-16-28(36)34-19-17-24(18-20-34)22-23-10-3-1-4-11-23/h1-8,10-15,24H,9,16-22H2