1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H14ClN3O3S/c1-12-10-16(25)19(23-24(12)14-8-6-13(21)7-9-14)20(26)27-11-18-22-15-4-2-3-5-17(15)28-18/h2-10H,11H2,1H3