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

Systemtic Name: 7-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Openeye Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide CAS Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-thieno[2,3-f][1,3]benzodioxolecarboxamide IUPAC Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Traditional Name: 7-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=CC5=C(C=C4S3)OCO5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=CC5=C(C=C4S3)OCO5)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-11-18(21(27)25(24(11)2)12-6-4-3-5-7-12)23-20(26)19-17(22)13-8-14-15(29-10-28-14)9-16(13)30-19/h3-9H,10H2,1-2H3,(H,23,26)