N-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-fluoro-4-pyrrolidino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C20H17FN4O3S/c21-16-9-13(3-5-17(16)24-7-1-2-8-24)12-22-23-20(26)19-11-14-10-15(25(27)28)4-6-18(14)29-19/h3-6,9-12H,1-2,7-8H2,(H,23,26)