3-chloranyl-6-fluoranyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzothiophene-2-carboxamide Formula: C20H15ClFN3OS MolecularWeight: 399.869003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C20H15ClFN3OS/c21-18-16-7-6-14(22)10-17(16)27-19(18)20(26)23-9-8-13-11-24-25(12-13)15-4-2-1-3-5-15/h1-7,10-12H,8-9H2,(H,23,26)