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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-phenyl-2-(p-tolylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(4-methylbenzyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)12-24-19-21-17(15-5-3-2-4-6-15)16(11-20)18(23)22-19/h2-10H,12H2,1H3,(H,21,22,23)