6-[bis(fluoranyl)methoxy]-3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 6-[bis(fluoranyl)methoxy]-3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-(difluoromethoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-6-(difluoromethoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-(difluoromethoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-(difluoromethoxy)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzothiophene-2-carboxamide Formula: C21H16ClF2N3O3S MolecularWeight: 463.884846

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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=C(S3)C=C(C=C4)OC(F)F)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC(F)F)Cl

InChI

InChI=1S/C21H16ClF2N3O3S/c1-11-17(20(29)27(26(11)2)12-6-4-3-5-7-12)25-19(28)18-16(22)14-9-8-13(30-21(23)24)10-15(14)31-18/h3-10,21H,1-2H3,(H,25,28)