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

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-chloranylbenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-20-9-18-19-16(20)25-8-12-6-13(21)14(7-23-12)24-15(22)10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3