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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(m-tolyl)-5-(piperonylthio)-1,2,4-triazole Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O2S/c1-3-9-23-19(16-6-4-5-14(2)10-16)21-22-20(23)26-12-15-7-8-17-18(11-15)25-13-24-17/h3-8,10-11H,1,9,12-13H2,2H3