6-(4-methylphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N

InChI

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