7-chloranyl-N-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)carbothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide

Systemtic Name: 7-chloranyl-N-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)carbothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Openeye Name: 7-chloro-N-(3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbothioyl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide CAS Name: 7-chloro-N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-sulfanylidenemethyl]-6-thieno[2,3-f][1,3]benzodioxolecarboxamide IUPAC Name: 7-chloro-N-(3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbothioyl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Traditional Name: 7-chloro-N-(5-keto-3-methyl-1-phenyl-2-pyrazoline-4-carbothioyl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Formula: C21H14ClN3O4S2 MolecularWeight: 471.93656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=S)NC(=O)C2=C(C3=CC4=C(C=C3S2)OCO4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C(=S)NC(=O)C2=C(C3=CC4=C(C=C3S2)OCO4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H14ClN3O4S2/c1-10-16(21(27)25(24-10)11-5-3-2-4-6-11)20(30)23-19(26)18-17(22)12-7-13-14(29-9-28-13)8-15(12)31-18/h2-8,16H,9H2,1H3,(H,23,26,30)