2-[(3-methylphenyl)methylsulfanyl]-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole Openeye Name: 2-(m-tolylmethylsulfanyl)-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole CAS Name: 2-[(3-methylphenyl)methylthio]-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole Traditional Name: 2-[(3-methylbenzyl)thio]-1-nosyl-2-imidazoline Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S2/c1-13-3-2-4-14(11-13)12-25-17-18-9-10-19(17)26(23,24)16-7-5-15(6-8-16)20(21)22/h2-8,11H,9-10,12H2,1H3