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

Systemtic Name: 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetonitrile CAS Name: 2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3OS/c20-11-12-22-18(23)13-17(16-9-5-2-6-10-16)21-19(22)24-14-15-7-3-1-4-8-15/h1-10,13H,12,14H2