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

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C21H17N3O3S MolecularWeight: 391.44298

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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=C(C=C3)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-13-3-5-14(6-4-13)18(25)12-28-21-23-19(17(11-22)20(26)24-21)15-7-9-16(27-2)10-8-15/h3-10H,12H2,1-2H3,(H,23,24,26)