2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3-bromophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(3-bromobenzyl)thio]-4-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C13H10BrN3OS MolecularWeight: 336.207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Br)C#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Br)C#N

InChI

InChI=1S/C13H10BrN3OS/c1-8-11(6-15)12(18)17-13(16-8)19-7-9-3-2-4-10(14)5-9/h2-5H,7H2,1H3,(H,16,17,18)