5-[(4-butyl-2-methyl-6-methylsulfanyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(4-butyl-2-methyl-6-methylsulfanyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-butyl-2-methyl-6-methylsulfanyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[[4-butyl-2-methyl-6-(methylthio)-5-pyrimidinyl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-butyl-2-methyl-6-methylsulfanylpyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[[4-butyl-2-methyl-6-(methylthio)pyrimidin-5-yl]methyl]-2-phenyl-benzonitrile Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)SC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)SC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H25N3S/c1-4-5-11-23-22(24(28-3)27-17(2)26-23)15-18-12-13-21(20(14-18)16-25)19-9-7-6-8-10-19/h6-10,12-14H,4-5,11,15H2,1-3H3