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N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)adamantane-1-carboxamide

N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)adamantane-1-carboxamide

Systemtic Name:N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)adamantane-1-carboxamide
Openeye Name:N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]adamantane-1-carboxamide
CAS Name:N-[3-nitro-5-(2-pyridinylthio)phenyl]-1-adamantanecarboxamide
IUPAC Name:N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)adamantane-1-carboxamide
Traditional Name:N-[3-nitro-5-(2-pyridylthio)phenyl]adamantane-1-carboxamide
Formula: C22H23N3O3S
MolecularWeight: 409.50132
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=N5)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=N5)[N+](=O)[O-]


InChI

InChI=1S/C22H23N3O3S/c26-21(22-11-14-5-15(12-22)7-16(6-14)13-22)24-17-8-18(25(27)28)10-19(9-17)29-20-3-1-2-4-23-20/h1-4,8-10,14-16H,5-7,11-13H2,(H,24,26)


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