N'-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]adamantane-1-carbohydrazide Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CSC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CSC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N3O4S/c21-20(22,23)14-1-2-16(15(6-14)26(29)30)31-10-17(27)24-25-18(28)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H,24,27)(H,25,28)