5-azanyl-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylic acid

Systemtic Name: 5-azanyl-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylic acid Openeye Name: 5-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylic acid CAS Name: 5-amino-3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid IUPAC Name: 5-amino-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylic acid Traditional Name: 5-amino-3-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-cyano-2-thenoic acid Formula: C13H7ClF3N3O2S2 MolecularWeight: 393.79179

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCC2=C(SC(=C2C#N)N)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCC2=C(SC(=C2C#N)N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H7ClF3N3O2S2/c14-8-1-5(13(15,16)17)3-20-11(8)23-4-7-6(2-18)10(19)24-9(7)12(21)22/h1,3H,4,19H2,(H,21,22)