5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide Formula: C21H13F3N4O3S MolecularWeight: 458.41313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H13F3N4O3S/c22-21(23,24)14-3-1-4-15(11-14)27-8-2-5-17(27)12-25-26-20(29)19-10-13-9-16(28(30)31)6-7-18(13)32-19/h1-12H,(H,26,29)