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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 4-(o-tolyl)-3-(piperonylthio)-1,2,4-triazole Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-12-4-2-3-5-14(12)20-10-18-19-17(20)23-9-13-6-7-15-16(8-13)22-11-21-15/h2-8,10H,9,11H2,1H3