1-[2,2-bis[(4-nitrophenyl)methylsulfanyl]ethyl]imidazole hydrochloride

Systemtic Name: 1-[2,2-bis[(4-nitrophenyl)methylsulfanyl]ethyl]imidazole hydrochloride Openeye Name: 1-[2,2-bis[(4-nitrophenyl)methylsulfanyl]ethyl]imidazole hydrochloride CAS Name: 1-[2,2-bis[(4-nitrophenyl)methylthio]ethyl]imidazole hydrochloride IUPAC Name: 1-[2,2-bis[(4-nitrophenyl)methylsulfanyl]ethyl]imidazole hydrochloride Traditional Name: 1-[2,2-bis[(4-nitrobenzyl)thio]ethyl]imidazole hydrochloride Formula: C19H19ClN4O4S2 MolecularWeight: 466.96156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C19H18N4O4S2.ClH/c24-22(25)17-5-1-15(2-6-17)12-28-19(11-21-10-9-20-14-21)29-13-16-3-7-18(8-4-16)23(26)27;/h1-10,14,19H,11-13H2;1H