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

Systemtic Name: 4-[[5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile CAS Name: 4-[[5-methyl-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[[5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 4-[[4-keto-5-methyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N4O3S/c1-13-18(10-14-2-4-15(11-21)5-3-14)22-20(23-19(13)25)28-12-16-6-8-17(9-7-16)24(26)27/h2-9H,10,12H2,1H3,(H,22,23,25)