3-[3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H21BrN4O2S MolecularWeight: 485.39674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)Br)OC

InChI

InChI=1S/C22H21BrN4O2S/c1-28-19-9-13(17(23)10-20(19)29-2)12-30-22-26-25-21(27(22)14-7-8-14)16-11-24-18-6-4-3-5-15(16)18/h3-6,9-11,14,25H,7-8,12H2,1-2H3