N-(4-bromophenyl)-6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-imine

Systemtic Name: N-(4-bromophenyl)-6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-imine Openeye Name: N-(4-bromophenyl)-6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-imine CAS Name: N-(4-bromophenyl)-6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-imine IUPAC Name: N-(4-bromophenyl)-6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-imine Traditional Name: (4-bromophenyl)-(6-phenyl-3-thia-6-azabicyclo[5.5.0]dodec-1(7)-en-2-ylidene)amine Formula: C22H23BrN2S MolecularWeight: 427.40042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N(CCSC2=NC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)N(CCSC2=NC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2S/c23-17-11-13-18(14-12-17)24-22-20-9-5-2-6-10-21(20)25(15-16-26-22)19-7-3-1-4-8-19/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2