2-(4-methylphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(4-methylphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 6-oxo-3-phenyl-2-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(4-methylphenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-methylphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-phenyl-2-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

InChI

InChI=1S/C18H15N3OS/c1-12-7-9-13(10-8-12)16-20-17(22)15(11-19)18(23)21(16)14-5-3-2-4-6-14/h2-10,16,23H,1H3,(H,20,22)