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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C14H12BrN3OS/c1-2-12-11(7-16)13(19)18-14(17-12)20-8-9-3-5-10(15)6-4-9/h3-6H,2,8H2,1H3,(H,17,18,19)