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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-methyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-1,2,4-triazole Traditional Name: 4-methyl-3-(piperonylthio)-1,2,4-triazole Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=NN=C1SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H11N3O2S/c1-14-6-12-13-11(14)17-5-8-2-3-9-10(4-8)16-7-15-9/h2-4,6H,5,7H2,1H3