N-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Openeye Name: N-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide CAS Name: N-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Traditional Name: N-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide Formula: C13H17F3N4S MolecularWeight: 318.36109

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N4S/c1-17-12(21)20-6-2-5-19(7-8-20)11-4-3-10(9-18-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3,(H,17,21)