N'-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3)C

InChI

InChI=1S/C20H25N5O4S/c1-13-14(2)24(16-8-4-3-5-9-16)20(21-13)30-12-18(26)22-23-19(27)15-7-6-10-17(11-15)25(28)29/h6-7,10-11,16H,3-5,8-9,12H2,1-2H3,(H,22,26)(H,23,27)