2-[4-(4-methylphenyl)-3-(4-methylsulfinylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfinylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-(4-methylsulfinylphenyl)-2,6-dioxo-4-(p-tolyl)pyrimidin-1-yl]acetonitrile CAS Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfinylphenyl)-2,6-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfinylphenyl)-2,6-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[2,6-diketo-3-(4-methylsulfinylphenyl)-4-(p-tolyl)pyrimidin-1-yl]acetonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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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)S(=O)C)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-14-3-5-15(6-4-14)18-13-19(24)22(12-11-21)20(25)23(18)16-7-9-17(10-8-16)27(2)26/h3-10,13H,12H2,1-2H3