4-[5-bromanyl-6-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-[[6-(trifluoromethyl)-3-pyridyl]methylamino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-[[6-(trifluoromethyl)-3-pyridyl]methylamino]-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C18H13BrF3N3O4S3 MolecularWeight: 568.40773

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CN=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CN=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C18H13BrF3N3O4S3/c1-30-17-13(5-12(31-17)16(26)27)32(28,29)10-4-11(19)15(25-8-10)24-7-9-2-3-14(23-6-9)18(20,21)22/h2-6,8H,7H2,1H3,(H,24,25)(H,26,27)