4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]benzonitrile Formula: C14H11N3O2S MolecularWeight: 285.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2S/c1-9-6-13(19)17-14(16-9)20-8-12(18)11-4-2-10(7-15)3-5-11/h2-6H,8H2,1H3,(H,16,17,19)