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

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-methoxybenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-20-10-18-19-17(20)26-9-13-7-14(21)15(8-24-13)25-16(22)11-3-5-12(23-2)6-4-11/h3-8,10H,9H2,1-2H3