5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-thia-4-aza-3-azanidacyclopent-4-en-2-imine

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-thia-4-aza-3-azanidacyclopent-4-en-2-imine Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1-thia-4-aza-3-azanidacyclopent-4-en-2-imine CAS Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1-thia-4-aza-3-azanidacyclopent-4-en-2-imine IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1-thia-4-aza-3-azanidacyclopent-4-en-2-imine Traditional Name: [5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1-thia-4-aza-3-azanidacyclopent-4-en-2-ylidene]amine Formula: C11H11BrN3O2S2- MolecularWeight: 361.25794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=N[N-]C(=N)S2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=N[N-]C(=N)S2)Br)OC

InChI

InChI=1S/C11H11BrN3O2S2/c1-16-8-3-6(7(12)4-9(8)17-2)5-18-11-15-14-10(13)19-11/h3-4H,5H2,1-2H3,(H-,13,14)/q-1