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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[5-(1,3-benzodioxol-5-ylmethylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[4-(2-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazol-3-yl]piperidine Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)N5CCCCC5

InChI

InChI=1S/C22H24N4O3S/c1-27-18-8-4-3-7-17(18)26-21(25-11-5-2-6-12-25)23-24-22(26)30-14-16-9-10-19-20(13-16)29-15-28-19/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3