1-[3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine

Systemtic Name: 1-[3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine Openeye Name: 1-[3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine CAS Name: 1-[3-[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine Traditional Name: 1-[3-[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine Formula: C26H26N4O2S2 MolecularWeight: 490.64024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S2/c31-34(32,29-17-8-3-9-18-29)24-16-10-13-22(19-24)25-27-28-26(30(25)23-14-6-2-7-15-23)33-20-21-11-4-1-5-12-21/h1-2,4-7,10-16,19H,3,8-9,17-18,20H2