2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetonitrile CAS Name: 2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetonitrile Traditional Name: 2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetonitrile Formula: C19H14ClN3OS MolecularWeight: 367.85196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC#N

InChI

InChI=1S/C19H14ClN3OS/c20-16-9-5-4-8-15(16)13-25-19-22-17(14-6-2-1-3-7-14)12-18(24)23(19)11-10-21/h1-9,12H,11,13H2