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

Systemtic Name: 1-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S2/c1-12-4-5-14(10-13(12)2)25-9-8-17(26)19(24-25)20(27)23-21-22-16-7-6-15(31(3,28)29)11-18(16)30-21/h4-11H,1-3H3,(H,22,23,27)