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

Systemtic Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(1,3-benzodioxol-5-ylmethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C22H18N4O3S/c1-27-18-5-3-17(4-6-18)26-21(16-8-10-23-11-9-16)24-25-22(26)30-13-15-2-7-19-20(12-15)29-14-28-19/h2-12H,13-14H2,1H3