4-[(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3OS/c1-24-19-21-17(16-5-3-2-4-6-16)11-18(23)22(19)13-15-9-7-14(12-20)8-10-15/h2-11H,13H2,1H3