5-[4-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]pentanenitrile

Systemtic Name: 5-[4-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]pentanenitrile Openeye Name: 5-[3-(4-methylsulfanylphenyl)-2,6-dioxo-4-(p-tolyl)pyrimidin-1-yl]pentanenitrile CAS Name: 5-[4-(4-methylphenyl)-3-[4-(methylthio)phenyl]-2,6-dioxo-1-pyrimidinyl]pentanenitrile IUPAC Name: 5-[4-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2,6-dioxopyrimidin-1-yl]pentanenitrile Traditional Name: 5-[2,6-diketo-3-[4-(methylthio)phenyl]-4-(p-tolyl)pyrimidin-1-yl]valeronitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CCCCC#N

InChI

InChI=1S/C23H23N3O2S/c1-17-6-8-18(9-7-17)21-16-22(27)25(15-5-3-4-14-24)23(28)26(21)19-10-12-20(29-2)13-11-19/h6-13,16H,3-5,15H2,1-2H3