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

Systemtic Name: 4-[5-bromanyl-6-[2-(1H-imidazol-5-yl)ethylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[5-bromo-6-[2-(1H-imidazol-5-yl)ethylamino]-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C16H17BrN6O2S3 MolecularWeight: 501.44418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN6O2S3/c1-26-16-13(5-12(27-16)14(18)19)28(24,25)10-4-11(17)15(22-7-10)21-3-2-9-6-20-8-23-9/h4-8H,2-3H2,1H3,(H3,18,19)(H,20,23)(H,21,22)