6-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(p-tolyl)-2-(p-tolylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(4-methylbenzyl)thio]-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3OS/c1-13-3-7-15(8-4-13)12-25-20-22-18(17(11-21)19(24)23-20)16-9-5-14(2)6-10-16/h3-10H,12H2,1-2H3,(H,22,23,24)