(2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-3-(4-chlorophenyl)-2-(4-ethoxy-3-methoxy-phenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N)OC

InChI

InChI=1S/C20H18ClN3O3S/c1-3-27-16-9-4-12(10-17(16)26-2)18-23-19(25)15(11-22)20(28)24(18)14-7-5-13(21)6-8-14/h4-10,18,28H,3H2,1-2H3,(H,23,25)/t18-/m0/s1