2-[(4-nitrophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole CAS Name: 2-[(4-nitrophenyl)methylthio]-1-propylsulfonyl-4,5-dihydroimidazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole Traditional Name: 2-[(4-nitrobenzyl)thio]-1-propylsulfonyl-2-imidazoline Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S2/c1-2-9-22(19,20)15-8-7-14-13(15)21-10-11-3-5-12(6-4-11)16(17)18/h3-6H,2,7-10H2,1H3