2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/c1-13-7-9-14(10-8-13)17(24)12-26-20-22-18(15-5-3-2-4-6-15)16(11-21)19(25)23-20/h2-10H,12H2,1H3,(H,22,23,25)