4-[[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]methyl]benzonitrile Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H19N3OS2/c1-15-3-9-19(10-4-15)20(26)14-28-22-24-16(2)11-21(25-22)27-13-18-7-5-17(12-23)6-8-18/h3-11H,13-14H2,1-2H3