[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=NN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O6S/c1-20-8-18-19-17(20)27-7-11-5-12(21)15(6-23-11)26-16(22)10-2-3-13-14(4-10)25-9-24-13/h2-6,8H,7,9H2,1H3