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N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloranyl-2-nitro-benzamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloranyl-2-nitro-benzamide

Systemtic Name:N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloranyl-2-nitro-benzamide
Openeye Name:N-[4-(1-adamantyl)thiazol-2-yl]-4-chloro-2-nitro-benzamide
CAS Name:N-[4-(1-adamantyl)-2-thiazolyl]-4-chloro-2-nitrobenzamide
IUPAC Name:N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloro-2-nitrobenzamide
Traditional Name:N-[4-(1-adamantyl)thiazol-2-yl]-4-chloro-2-nitro-benzamide
Formula: C20H20ClN3O3S
MolecularWeight: 417.9091
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]


InChI

InChI=1S/C20H20ClN3O3S/c21-14-1-2-15(16(6-14)24(26)27)18(25)23-19-22-17(10-28-19)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,22,23,25)


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