4-[5-bromanyl-6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-(3-imidazol-1-ylpropylamino)-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[3-(1-imidazolyl)propylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-(3-imidazol-1-ylpropylamino)-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C17H17BrN4O4S3 MolecularWeight: 517.44028

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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)NCCCN3C=CN=C3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCCCN3C=CN=C3)Br

InChI

InChI=1S/C17H17BrN4O4S3/c1-27-17-14(8-13(28-17)16(23)24)29(25,26)11-7-12(18)15(21-9-11)20-3-2-5-22-6-4-19-10-22/h4,6-10H,2-3,5H2,1H3,(H,20,21)(H,23,24)