N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide Formula: C25H25F3N2O3S MolecularWeight: 490.53781

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4SC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4SC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C25H25F3N2O3S/c26-25(27,28)18-5-6-22(20(10-18)30(32)33)34-21-4-2-1-3-19(21)23(31)29-14-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H,29,31)