(Z)-3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[2-bromanyl-4-(3-sulfamoylpyridin-4-yl)phenyl]-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[2-bromanyl-4-(3-sulfamoylpyridin-4-yl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-3-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]-2-fluoro-but-2-enamide CAS Name: (Z)-N-[2-bromo-4-(3-sulfamoyl-4-pyridinyl)phenyl]-3-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-N-[2-bromo-4-(3-sulfamoylpyridin-4-yl)phenyl]-3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]-2-fluorobut-2-enamide Traditional Name: (Z)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-3-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]-2-fluoro-but-2-enamide Formula: C22H19BrFN5O4S MolecularWeight: 548.384763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)C2=C(C=NC=C2)S(=O)(=O)N)Br)F)C3=CC(=C(N)N)C=CC3=O

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)C2=C(C=NC=C2)S(=O)(=O)N)Br)/F)/C3=CC(=C(N)N)C=CC3=O

InChI

InChI=1S/C22H19BrFN5O4S/c1-11(15-8-13(21(25)26)3-5-18(15)30)20(24)22(31)29-17-4-2-12(9-16(17)23)14-6-7-28-10-19(14)34(27,32)33/h2-10H,25-26H2,1H3,(H,29,31)(H2,27,32,33)/b20-11-