N-[[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H16ClFN4O3S MolecularWeight: 470.903843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClFN4O3S/c1-12-7-15(13(2)27(12)16-3-5-19(24)18(23)10-16)11-25-26-22(29)21-9-14-8-17(28(30)31)4-6-20(14)32-21/h3-11H,1-2H3,(H,26,29)