(2S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-2-(4-tert-butylphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-2-(4-tert-butylphenyl)-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-22(2,3)15-7-5-14(6-8-15)19-24-20(26)18(13-23)21(28)25(19)16-9-11-17(27-4)12-10-16/h5-12,19,28H,1-4H3,(H,24,26)/t19-/m0/s1