S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 4-methoxybenzenecarbothioate

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 4-methoxybenzenecarbothioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H12N2O3S/c1-8-7-11(16)15-13(14-8)19-12(17)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,14,15,16)