N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-2-nitro-benzohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-2-nitro-benzohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-nitro-benzohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-2-nitrobenzohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-nitrobenzohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-2-nitro-benzohydrazide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O4S/c28-20(25-26-21(29)16-5-1-4-8-19(16)27(30)31)15-11-9-14(10-12-15)13-32-22-23-17-6-2-3-7-18(17)24-22/h1-12H,13H2,(H,23,24)(H,25,28)(H,26,29)