[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcycloheptyl]methanamine

Systemtic Name: [2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcycloheptyl]methanamine Openeye Name: [2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]cycloheptyl]methanamine CAS Name: [2-[[5-(trifluoromethyl)-2-pyridinyl]thio]cycloheptyl]methanamine IUPAC Name: [2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcycloheptyl]methanamine Traditional Name: [2-[[5-(trifluoromethyl)-2-pyridyl]thio]cycloheptyl]methylamine Formula: C14H19F3N2S MolecularWeight: 304.37427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)SC2=NC=C(C=C2)C(F)(F)F)CN

Isomeric SMILES

C1CCC(C(CC1)SC2=NC=C(C=C2)C(F)(F)F)CN

InChI

InChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-9-11)20-12-5-3-1-2-4-10(12)8-18/h6-7,9-10,12H,1-5,8,18H2