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

Systemtic Name: 4-[5-bromanyl-6-[2-(1H-imidazol-5-yl)ethylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C16H15BrN4O4S3 MolecularWeight: 503.4137

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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)NCCC3=CN=CN3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCCC3=CN=CN3)Br

InChI

InChI=1S/C16H15BrN4O4S3/c1-26-16-13(5-12(27-16)15(22)23)28(24,25)10-4-11(17)14(20-7-10)19-3-2-9-6-18-8-21-9/h4-8H,2-3H2,1H3,(H,18,21)(H,19,20)(H,22,23)