(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(2-fluorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H14ClFN2O3S MolecularWeight: 428.863863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClFN2O3S/c1-12-10-16(26)20(24-25(12)15-8-4-3-7-14(15)23)21(27)28-11-18-19(22)13-6-2-5-9-17(13)29-18/h2-10H,11H2,1H3