3-cyano-5-methyl-4-(phenylsulfonyl)pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-5-methyl-4-(phenylsulfonyl)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(benzenesulfonyl)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-besyl-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11N3O4S/c1-10-13(16(20)21)9-19-14(10)15(11(7-17)8-18-19)24(22,23)12-5-3-2-4-6-12/h2-6,8-9H,1H3,(H,20,21)