methyl 4-methylsulfanyl-2-oxidanylidene-6-[4-(1,2,4-triazol-1-yl)phenyl]pyran-3-carboxylate

Systemtic Name: methyl 4-methylsulfanyl-2-oxidanylidene-6-[4-(1,2,4-triazol-1-yl)phenyl]pyran-3-carboxylate Openeye Name: methyl 4-methylsulfanyl-2-oxo-6-[4-(1,2,4-triazol-1-yl)phenyl]pyran-3-carboxylate CAS Name: 4-(methylthio)-2-oxo-6-[4-(1,2,4-triazol-1-yl)phenyl]-3-pyrancarboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-oxo-6-[4-(1,2,4-triazol-1-yl)phenyl]pyran-3-carboxylate Traditional Name: 2-keto-4-(methylthio)-6-[4-(1,2,4-triazol-1-yl)phenyl]pyran-3-carboxylic acid methyl ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)N3C=NC=N3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)N3C=NC=N3)SC

InChI

InChI=1S/C16H13N3O4S/c1-22-15(20)14-13(24-2)7-12(23-16(14)21)10-3-5-11(6-4-10)19-9-17-8-18-19/h3-9H,1-2H3