4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-methoxy-3-nitro-phenyl)sulfonyl-benzohydrazide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-methoxy-3-nitro-phenyl)sulfonyl-benzohydrazide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-methoxy-3-nitro-phenyl)sulfonyl-benzohydrazide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-(4-methoxy-3-nitrophenyl)sulfonylbenzohydrazide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-methoxy-3-nitrophenyl)sulfonylbenzohydrazide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-(4-methoxy-3-nitro-phenyl)sulfonyl-benzohydrazide Formula: C22H19N5O6S2 MolecularWeight: 513.54616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O6S2/c1-33-20-11-10-16(12-19(20)27(29)30)35(31,32)26-25-21(28)15-8-6-14(7-9-15)13-34-22-23-17-4-2-3-5-18(17)24-22/h2-12,26H,13H2,1H3,(H,23,24)(H,25,28)