3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN3O2S/c1-2-9-23-18(14-4-6-15(20)7-5-14)21-22-19(23)26-11-13-3-8-16-17(10-13)25-12-24-16/h2-8,10H,1,9,11-12H2