4-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine

Systemtic Name: 4-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine Openeye Name: 4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine CAS Name: 4-[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonylpiperidine IUPAC Name: 4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine Traditional Name: 4-[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine Formula: C23H28N4O3S2 MolecularWeight: 472.62342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O3S2/c1-3-27-22(24-25-23(27)31-17-18-7-5-4-6-8-18)19-13-15-26(16-14-19)32(28,29)21-11-9-20(30-2)10-12-21/h4-12,19H,3,13-17H2,1-2H3