1-ethyl-2-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonyl-benzimidazole-5-carbohydrazide

Systemtic Name: 1-ethyl-2-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonyl-benzimidazole-5-carbohydrazide Openeye Name: 1-ethyl-2-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]benzimidazole-5-carbohydrazide CAS Name: 1-ethyl-2-methyl-N'-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]-5-benzimidazolecarbohydrazide IUPAC Name: 1-ethyl-2-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]benzimidazole-5-carbohydrazide Traditional Name: 1-ethyl-2-methyl-N'-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]benzimidazole-5-carbohydrazide Formula: C21H20N8O4S MolecularWeight: 480.4997

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N8O4S/c1-4-28-12(2)23-15-9-13(5-7-16(15)28)19(30)24-25-20(31)14-6-8-18(17(10-14)29(32)33)34-21-26-22-11-27(21)3/h5-11H,4H2,1-3H3,(H,24,30)(H,25,31)