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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(4-tert-butylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(4-tert-butylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-(4-tert-butylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(4-tert-butylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-6-(4-tert-butylphenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3OS/c1-22(2,3)16-8-6-15(7-9-16)19-18(12-24)20(27)26-21(25-19)28-13-14-4-10-17(23)11-5-14/h4-11H,13H2,1-3H3,(H,25,26,27)