1-(2,5-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: 1-(2,5-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: 1-(2,5-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: 1-(2,5-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H20N4O4S2/c1-12-4-5-13(2)17(10-12)25-19(26)9-8-16(24-25)20(27)23-21-22-15-7-6-14(31(3,28)29)11-18(15)30-21/h4-7,10-11H,8-9H2,1-3H3,(H,22,23,27)