4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]ethyl]benzenesulfonamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-13-2-8-16(9-3-13)28(25,26)20-10-11-27-18-19-12-17(21-18)14-4-6-15(7-5-14)22(23)24/h2-9,12,20H,10-11H2,1H3,(H,19,21)