4-[[2-[(4-cyanophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile CAS Name: 4-[[2-[(4-cyanophenyl)methylthio]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(4-cyanobenzyl)thio]-4-keto-5-methyl-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N4OS/c1-14-19(10-15-2-4-16(11-22)5-3-15)24-21(25-20(14)26)27-13-18-8-6-17(12-23)7-9-18/h2-9H,10,13H2,1H3,(H,24,25,26)