4-(4-bromophenyl)-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-(4-bromophenyl)-1-methyl-2-methylsulfanyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-bromophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-bromophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 4-(4-bromophenyl)-6-keto-1-methyl-2-(methylthio)pyrimidine-5-carbonitrile Formula: C13H10BrN3OS MolecularWeight: 336.207

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C13H10BrN3OS/c1-17-12(18)10(7-15)11(16-13(17)19-2)8-3-5-9(14)6-4-8/h3-6H,1-2H3