N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C18H19ClF3N3OS MolecularWeight: 417.87617

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C18H19ClF3N3OS/c19-13-4-12(18(20,21)22)8-23-14(13)24-16(27)25-15(26)17-5-9-1-10(6-17)3-11(2-9)7-17/h4,8-11H,1-3,5-7H2,(H2,23,24,25,26,27)