N-ethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-ethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-4-[(1-methyl-2-imidazolyl)thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-4-[(1-methylimidazol-2-yl)thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-3-21(14-7-5-4-6-8-14)28(25,26)15-9-10-17(16(13-15)22(23)24)27-18-19-11-12-20(18)2/h4-13H,3H2,1-2H3