(2R)-5-cyano-2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate

Systemtic Name: (2R)-5-cyano-2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Openeye Name: (2R)-5-cyano-3-(4-isopropylphenyl)-2-(4-nitrophenyl)-4-thioxo-1,2-dihydropyrimidin-6-olate CAS Name: (2R)-5-cyano-2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate IUPAC Name: (2R)-5-cyano-2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Traditional Name: (2R)-5-cyano-2-(4-nitrophenyl)-3-p-cumenyl-4-thioxo-1,2-dihydropyrimidin-6-olate Formula: C20H17N4O3S- MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C20H18N4O3S/c1-12(2)13-3-7-15(8-4-13)23-18(22-19(25)17(11-21)20(23)28)14-5-9-16(10-6-14)24(26)27/h3-10,12,18,22,25H,1-2H3/p-1/t18-/m1/s1