4-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS/c1-15-19(12-16-6-4-3-5-7-16)20(25)24(2)21(23-15)26-14-18-10-8-17(13-22)9-11-18/h3-11H,12,14H2,1-2H3