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

Systemtic Name: 4-[5-bromanyl-6-(pyridin-4-ylmethylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[5-bromo-6-(4-pyridylmethylamino)-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[5-bromo-6-(pyridin-4-ylmethylamino)-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[5-bromo-6-(pyridin-4-ylmethylamino)pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[5-bromo-6-(4-pyridylmethylamino)-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C17H16BrN5O2S3 MolecularWeight: 498.44024

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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)NCC3=CC=NC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5O2S3/c1-26-17-14(7-13(27-17)15(19)20)28(24,25)11-6-12(18)16(23-9-11)22-8-10-2-4-21-5-3-10/h2-7,9H,8H2,1H3,(H3,19,20)(H,22,23)