5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxo-2-phenylpentanenitrile Traditional Name: 5-[(4,6-dimethylpyrimidin-2-yl)thio]-3-keto-2-phenyl-valeronitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)C(C#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)C(C#N)C2=CC=CC=C2)C

InChI

InChI=1S/C17H17N3OS/c1-12-10-13(2)20-17(19-12)22-9-8-16(21)15(11-18)14-6-4-3-5-7-14/h3-7,10,15H,8-9H2,1-2H3