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

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-6-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)methyl]benzonitrile CAS Name: 4-[[5-methyl-4-oxo-2-(phenacylthio)-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)methyl]benzonitrile Traditional Name: 4-[[4-keto-5-methyl-2-(phenacylthio)-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-14-18(11-15-7-9-16(12-22)10-8-15)23-21(24-20(14)26)27-13-19(25)17-5-3-2-4-6-17/h2-10H,11,13H2,1H3,(H,23,24,26)