N'-[2-(1-adamantyl)ethanoyl]-4-methylsulfanyl-3-nitro-benzohydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-4-methylsulfanyl-3-nitro-benzohydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-4-methylsulfanyl-3-nitro-benzohydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-4-(methylthio)-3-nitrobenzohydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-4-methylsulfanyl-3-nitrobenzohydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-4-(methylthio)-3-nitro-benzohydrazide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-28-17-3-2-15(7-16(17)23(26)27)19(25)22-21-18(24)11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,24)(H,22,25)