4-[(5,7-dimethyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(5,7-dimethyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C17H14N4OS/c1-10-7-11(2)19-15-14(10)16(22)21-17(20-15)23-9-13-5-3-12(8-18)4-6-13/h3-7H,9H2,1-2H3,(H,19,20,21,22)