4-(1-adamantylsulfanylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(1-adamantylsulfanylmethyl)-3-nitro-benzamide Openeye Name: 4-(1-adamantylsulfanylmethyl)-3-nitro-benzamide CAS Name: 4-[(1-adamantylthio)methyl]-3-nitrobenzamide IUPAC Name: 4-(1-adamantylsulfanylmethyl)-3-nitrobenzamide Traditional Name: 4-[(1-adamantylthio)methyl]-3-nitro-benzamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c19-17(21)14-1-2-15(16(6-14)20(22)23)10-24-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H2,19,21)