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

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethoxybenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-21-10-19-20-18(21)28-9-14-7-15(22)16(8-26-14)27-17(23)11-4-12(24-2)6-13(5-11)25-3/h4-8,10H,9H2,1-3H3