7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-1,2,3-benzothiadiazole-5-carboxylic acid

Systemtic Name: 7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-1,2,3-benzothiadiazole-5-carboxylic acid Openeye Name: 7-fluoro-6-(4-iodo-2-methyl-anilino)-1,2,3-benzothiadiazole-5-carboxylic acid CAS Name: 7-fluoro-6-(4-iodo-2-methylanilino)-1,2,3-benzothiadiazole-5-carboxylic acid IUPAC Name: 7-fluoro-6-(4-iodo-2-methylanilino)-1,2,3-benzothiadiazole-5-carboxylic acid Traditional Name: 7-fluoro-6-(4-iodo-2-methyl-anilino)-1,2,3-benzothiadiazole-5-carboxylic acid Formula: C14H9FIN3O2S MolecularWeight: 429.208033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)O)N=NS3)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)O)N=NS3)F

InChI

InChI=1S/C14H9FIN3O2S/c1-6-4-7(16)2-3-9(6)17-12-8(14(20)21)5-10-13(11(12)15)22-19-18-10/h2-5,17H,1H3,(H,20,21)