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

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] benzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-19-10-17-18-16(19)24-9-12-7-13(20)14(8-22-12)23-15(21)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3