(2R)-3-(4-methylphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](CC2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C17H19N3OS/c1-3-4-14-10-16(21)20-17(19-14)22-15(11-18)9-13-7-5-12(2)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,20,21)/t15-/m1/s1