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N-(1-adamantyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide

N-(1-adamantyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name:N-(1-adamantyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide
Openeye Name:N-(1-adamantyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide
CAS Name:N-(1-adamantyl)-4-[(4-chlorophenyl)thio]-3-nitrobenzamide
IUPAC Name:N-(1-adamantyl)-4-(4-chlorophenyl)sulfanyl-3-nitrobenzamide
Traditional Name:N-(1-adamantyl)-4-[(4-chlorophenyl)thio]-3-nitro-benzamide
Formula: C23H23ClN2O3S
MolecularWeight: 442.95832
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)SC5=CC=C(C=C5)Cl)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)SC5=CC=C(C=C5)Cl)[N+](=O)[O-]


InChI

InChI=1S/C23H23ClN2O3S/c24-18-2-4-19(5-3-18)30-21-6-1-17(10-20(21)26(28)29)22(27)25-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)


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