5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: 5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide Openeye Name: 5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-pyrazoline-3-carboxamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C=C(NN2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C(=O)C=C1

InChI

InChI=1S/C19H16N4O4S2/c1-10-3-6-16(24)12(7-10)14-9-15(23-22-14)18(25)21-19-20-13-5-4-11(29(2,26)27)8-17(13)28-19/h3-9,22-23H,1-2H3,(H,20,21,25)