2-[3-azanyl-1-(1,2-thiazol-5-yl)propyl]sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[3-azanyl-1-(1,2-thiazol-5-yl)propyl]sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3-amino-1-isothiazol-5-yl-propyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[3-amino-1-(5-isothiazolyl)propyl]thio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-amino-1-(1,2-thiazol-5-yl)propyl]sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3-amino-1-isothiazol-5-yl-propyl)thio]-6-(trifluoromethyl)nicotinonitrile Formula: C13H11F3N4S2 MolecularWeight: 344.37845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1C#N)SC(CCN)C2=CC=NS2)C(F)(F)F

Isomeric SMILES

C1=CC(=NC(=C1C#N)SC(CCN)C2=CC=NS2)C(F)(F)F

InChI

InChI=1S/C13H11F3N4S2/c14-13(15,16)11-2-1-8(7-18)12(20-11)21-9(3-5-17)10-4-6-19-22-10/h1-2,4,6,9H,3,5,17H2