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

Systemtic Name: (2S)-5-cyano-2-(4-nitrophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Openeye Name: (2S)-5-cyano-2-(4-nitrophenyl)-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate CAS Name: (2S)-5-cyano-2-(4-nitrophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate IUPAC Name: (2S)-5-cyano-2-(4-nitrophenyl)-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Traditional Name: (2S)-5-cyano-2-(4-nitrophenyl)-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate Formula: C17H11N4O3S- MolecularWeight: 351.35924

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O3S/c18-10-14-16(22)19-15(11-6-8-13(9-7-11)21(23)24)20(17(14)25)12-4-2-1-3-5-12/h1-9,15,19,22H/p-1/t15-/m0/s1