methyl 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2S/c1-8-10(13(16)17-2)12(18)15-11(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15,18)