(2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate

Systemtic Name: (2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Openeye Name: (2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(o-tolyl)-4-thioxo-1,2-dihydropyrimidin-6-olate CAS Name: (2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate IUPAC Name: (2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Traditional Name: (2S)-5-cyano-2-(3,4-dimethoxyphenyl)-3-(o-tolyl)-4-thioxo-1,2-dihydropyrimidin-6-olate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(NC(=C(C2=S)C#N)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2[C@H](NC(=C(C2=S)C#N)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H19N3O3S/c1-12-6-4-5-7-15(12)23-18(22-19(24)14(11-21)20(23)27)13-8-9-16(25-2)17(10-13)26-3/h4-10,18,22,24H,1-3H3/p-1/t18-/m0/s1