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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(o-tolyl)-5-(piperonylthio)-1,2,4-triazole Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O2S/c1-12-5-3-4-6-14(12)17-19-20-18(21(17)2)24-10-13-7-8-15-16(9-13)23-11-22-15/h3-9H,10-11H2,1-2H3