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

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O2S/c1-7-6-10(16)15-12(14-7)18-11(17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15,16)