3-chloranyl-N-(4,5-dimethyl-2-nitro-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4,5-dimethyl-2-nitro-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4,5-dimethyl-2-nitro-phenyl)-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(4,5-dimethyl-2-nitrophenyl)-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4,5-dimethyl-2-nitrophenyl)-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(4,5-dimethyl-2-nitro-phenyl)-6-fluoro-benzothiophene-2-carboxamide Formula: C17H12ClFN2O3S MolecularWeight: 378.805183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C17H12ClFN2O3S/c1-8-5-12(13(21(23)24)6-9(8)2)20-17(22)16-15(18)11-4-3-10(19)7-14(11)25-16/h3-7H,1-2H3,(H,20,22)