1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[5-(1,3-benzodioxol-5-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[4-phenyl-5-(piperonylthio)-1,2,4-triazol-3-yl]piperidine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O2S/c1-3-7-17(8-4-1)25-20(24-11-5-2-6-12-24)22-23-21(25)28-14-16-9-10-18-19(13-16)27-15-26-18/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2