4-[5-bromanyl-6-(oxolan-2-ylmethylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[5-bromanyl-6-(oxolan-2-ylmethylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[5-bromo-6-(tetrahydrofuran-2-ylmethylamino)-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[5-bromo-6-(2-oxolanylmethylamino)-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[5-bromo-6-(oxolan-2-ylmethylamino)pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[5-bromo-6-(tetrahydrofurfurylamino)-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C16H19BrN4O3S3 MolecularWeight: 491.44606

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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)NCC3CCCO3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)NCC3CCCO3)Br

InChI

InChI=1S/C16H19BrN4O3S3/c1-25-16-13(6-12(26-16)14(18)19)27(22,23)10-5-11(17)15(21-8-10)20-7-9-3-2-4-24-9/h5-6,8-9H,2-4,7H2,1H3,(H3,18,19)(H,20,21)