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

Systemtic Name: 2-(4-tert-butylphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-tert-butylphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-tert-butylphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-21(2,3)15-11-9-14(10-12-15)18-23-19(25)17(13-22)20(26)24(18)16-7-5-4-6-8-16/h4-12,18,26H,1-3H3,(H,23,25)