1-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-5-ethyl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-5-ethyl-pyrazole-4-carboxamide Openeye Name: 1-[4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]phenyl]-5-ethyl-pyrazole-4-carboxamide CAS Name: 1-[4-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-5-ethyl-4-pyrazolecarboxamide IUPAC Name: 1-[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]-5-ethylpyrazole-4-carboxamide Traditional Name: 1-[4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]phenyl]-5-ethyl-pyrazole-4-carboxamide Formula: C21H16ClFN4O2S MolecularWeight: 442.893743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C(=O)N

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C(=O)N

InChI

InChI=1S/C21H16ClFN4O2S/c1-2-16-15(20(24)28)10-25-27(16)13-6-4-12(5-7-13)26-21(29)19-18(22)14-8-3-11(23)9-17(14)30-19/h3-10H,2H2,1H3,(H2,24,28)(H,26,29)