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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H12BrN3OS MolecularWeight: 398.27638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3OS/c19-14-8-6-12(7-9-14)11-24-18-21-16(13-4-2-1-3-5-13)15(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)