4-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1,4-dimethyl-6-oxo-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C14H13N3OS/c1-10-7-13(18)17(2)14(16-10)19-9-12-5-3-11(8-15)4-6-12/h3-7H,9H2,1-2H3