4-isoquinolin-5-ylsulfanyl-5-nitro-spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-5-nitro-spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] Openeye Name: 4-(5-isoquinolylsulfanyl)-5-nitro-spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] CAS Name: 4-(5-isoquinolinylthio)-5-nitrospiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] IUPAC Name: 4-isoquinolin-5-ylsulfanyl-5-nitrospiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] Traditional Name: 4-(5-isoquinolylthio)-5-nitro-spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=C(N2)C(=C(C=C3)[N+](=O)[O-])SC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CCC2(CC1)NC3=C(N2)C(=C(C=C3)[N+](=O)[O-])SC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C21H20N4O2S/c26-25(27)17-8-7-16-19(24-21(23-16)10-2-1-3-11-21)20(17)28-18-6-4-5-14-13-22-12-9-15(14)18/h4-9,12-13,23-24H,1-3,10-11H2