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

Systemtic Name: 1-[4-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine Openeye Name: 1-[4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine CAS Name: 1-[4-[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine IUPAC Name: 1-[4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfonylpiperidine Traditional Name: 1-[4-[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]phenyl]sulfonylpiperidine Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N4O2S2/c1-2-26-21(23-24-22(26)29-17-18-9-5-3-6-10-18)19-11-13-20(14-12-19)30(27,28)25-15-7-4-8-16-25/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3