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

Systemtic Name: 2-[3-(4-methylsulfanylphenyl)-2,6-bis(oxidanylidene)-4-phenyl-pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-(4-methylsulfanylphenyl)-2,6-dioxo-4-phenyl-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[4-(methylthio)phenyl]-2,6-dioxo-4-phenyl-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-(4-methylsulfanylphenyl)-2,6-dioxo-4-phenylpyrimidin-1-yl]acetonitrile Traditional Name: 2-[2,6-diketo-3-[4-(methylthio)phenyl]-4-phenyl-pyrimidin-1-yl]acetonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)CC#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O2S/c1-25-16-9-7-15(8-10-16)22-17(14-5-3-2-4-6-14)13-18(23)21(12-11-20)19(22)24/h2-10,13H,12H2,1H3