5-(3-chloranyl-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-chloranyl-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-chloro-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-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-pyrazoline-3-carboxamide Formula: C18H13ClN4O4S2 MolecularWeight: 448.90322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C4C=C(C=CC4=O)Cl)NN3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C4C=C(C=CC4=O)Cl)NN3

InChI

InChI=1S/C18H13ClN4O4S2/c1-29(26,27)10-3-4-12-16(7-10)28-18(20-12)21-17(25)14-8-13(22-23-14)11-6-9(19)2-5-15(11)24/h2-8,22-23H,1H3,(H,20,21,25)