3-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]propionitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS/c1-11-10-13(18)17(12-6-3-2-4-7-12)14(16-11)19-9-5-8-15/h2-4,6-7,10H,5,9H2,1H3