5-cyclopropyl-N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-[(5-fluorobenzothiophen-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-[(5-fluorobenzothiophen-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC5=C(S4)C=CC(=C5)F

Isomeric SMILES

C1CC1C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC5=C(S4)C=CC(=C5)F

InChI

InChI=1S/C22H18FN3OS/c23-16-8-9-20-15(10-16)11-18(28-20)12-24-22(27)19-13-25-26(21(19)14-6-7-14)17-4-2-1-3-5-17/h1-5,8-11,13-14H,6-7,12H2,(H,24,27)