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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C19H14BrN3OS MolecularWeight: 412.30296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3OS/c1-12-2-6-14(7-3-12)17-16(10-21)18(24)23-19(22-17)25-11-13-4-8-15(20)9-5-13/h2-9H,11H2,1H3,(H,22,23,24)