N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-fluoro-benzothiophene-2-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-5-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-fluoro-benzothiophene-2-carboxamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=C(S3)C=CC(=C4)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=C(S3)C=CC(=C4)F)C#N)N

InChI

InChI=1S/C22H18FN5OS/c23-15-8-9-19-14(11-15)12-20(30-19)22(29)26-10-4-7-18-17(13-24)21(25)28(27-18)16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12H,4,7,10,25H2,(H,26,29)