N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-2-methyl-3-nitro-benzohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-2-methyl-3-nitro-benzohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-methyl-3-nitro-benzohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-2-methyl-3-nitrobenzohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-methyl-3-nitrobenzohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-2-methyl-3-nitro-benzohydrazide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H19N5O4S/c1-14-17(5-4-8-20(14)28(31)32)22(30)27-26-21(29)16-11-9-15(10-12-16)13-33-23-24-18-6-2-3-7-19(18)25-23/h2-12H,13H2,1H3,(H,24,25)(H,26,29)(H,27,30)