3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylthio)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(o-tolyl)-5-(piperonylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C22H18N4O2S/c1-15-5-2-3-7-18(15)26-21(17-6-4-10-23-12-17)24-25-22(26)29-13-16-8-9-19-20(11-16)28-14-27-19/h2-12H,13-14H2,1H3