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

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 2-phenylethanethioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O2S/c1-9-7-11(16)15-13(14-9)18-12(17)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)