6-(4-tert-butylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-tert-butylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-tert-butylphenyl)-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-tert-butylphenyl)-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-tert-butylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-tert-butylphenyl)-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3OS/c1-15-6-5-7-16(12-15)14-28-22-25-20(19(13-24)21(27)26-22)17-8-10-18(11-9-17)23(2,3)4/h5-12H,14H2,1-4H3,(H,25,26,27)