3-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-(methylthio)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-methylsulfanyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3,5-dimethylbenzyl)-5-ethyl-6-keto-2-(methylthio)pyrimidin-1-yl]methyl]benzonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC2=CC=CC(=C2)C#N)SC)CC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC2=CC=CC(=C2)C#N)SC)CC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H25N3OS/c1-5-21-22(13-20-10-16(2)9-17(3)11-20)26-24(29-4)27(23(21)28)15-19-8-6-7-18(12-19)14-25/h6-12H,5,13,15H2,1-4H3