ethanedioic acid; 3-(2-pyridin-4-ylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine

Systemtic Name: ethanedioic acid; 3-(2-pyridin-4-ylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine Openeye Name: oxalic acid; 3-[2-(4-pyridylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine CAS Name: oxalic acid; 3-[2-(pyridin-4-ylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine IUPAC Name: oxalic acid; 3-(2-pyridin-4-ylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine Traditional Name: oxalic acid; [3-[2-(4-pyridylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine Formula: C19H16F3N3O9S2 MolecularWeight: 551.47025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCSC3=CC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCSC3=CC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H12F3N3OS2.2C2H2O4/c16-15(17,18)22-10-1-2-12-13(9-10)24-14(19)21(12)7-8-23-11-3-5-20-6-4-11;2*3-1(4)2(5)6/h1-6,9,19H,7-8H2;2*(H,3,4)(H,5,6)