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

Systemtic Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate IUPAC Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carboxylate Formula: C12H9N2O2S- MolecularWeight: 245.27706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H10N2O2S/c1-7-9(12(15)16)11(17)14-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H,13,14,17)/p-1