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

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-phenethylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-phenethylsulfanyl-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-(phenethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-4-oxo-2-phenethylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(phenethylthio)-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)C2=C(C(=O)N=C(N2)SCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3OS/c1-14-7-9-16(10-8-14)18-17(13-21)19(24)23-20(22-18)25-12-11-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,22,23,24)