2-(1-adamantylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O3S/c19-15-6-14(21(23)24)1-2-16(15)20-17(22)10-25-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,20,22)