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

Systemtic Name: 1-[4-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine Openeye Name: 1-[4-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine CAS Name: 1-[4-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine IUPAC Name: 1-[4-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine Traditional Name: 1-[4-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine Formula: C20H22N4O2S2 MolecularWeight: 414.54428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O2S2/c1-27-20-22-21-19(24(20)17-8-4-2-5-9-17)16-10-12-18(13-11-16)28(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3