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

Systemtic Name: 5-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide Openeye Name: 5-(3,5-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(3,5-dimethyl-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-3,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-pyrazoline-3-carboxamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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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)C

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)C

InChI

InChI=1S/C20H18N4O4S2/c1-10-6-11(2)18(25)13(7-10)15-9-16(24-23-15)19(26)22-20-21-14-5-4-12(30(3,27)28)8-17(14)29-20/h4-9,23-24H,1-3H3,(H,21,22,26)