(2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate

Systemtic Name: (2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Openeye Name: (2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate CAS Name: (2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate IUPAC Name: (2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Traditional Name: (2S)-5-cyano-2-(4-fluorophenyl)-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate Formula: C17H11FN3OS- MolecularWeight: 324.352143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(NC(=C(C2=S)C#N)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H](NC(=C(C2=S)C#N)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3OS/c18-12-8-6-11(7-9-12)15-20-16(22)14(10-19)17(23)21(15)13-4-2-1-3-5-13/h1-9,15,20,22H/p-1/t15-/m0/s1