4-[[2-[(4-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(4-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile CAS Name: 4-[[2-[(4-butylphenyl)methylthio]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[[2-[(4-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(4-butylbenzyl)thio]-4-keto-5-methyl-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=C(C=C3)C#N)C

InChI

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