N-[1-[2-(1-benzothiophen-2-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[2-(1-benzothiophen-2-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[2-(benzothiophen-2-ylmethylamino)-2-oxo-ethyl]pyrazol-4-yl]-2-fluoro-benzamide CAS Name: N-[1-[2-(1-benzothiophen-2-ylmethylamino)-2-oxoethyl]-4-pyrazolyl]-2-fluorobenzamide IUPAC Name: N-[1-[2-(1-benzothiophen-2-ylmethylamino)-2-oxoethyl]pyrazol-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[2-(benzothiophen-2-ylmethylamino)-2-keto-ethyl]pyrazol-4-yl]-2-fluoro-benzamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H17FN4O2S/c22-18-7-3-2-6-17(18)21(28)25-15-10-24-26(12-15)13-20(27)23-11-16-9-14-5-1-4-8-19(14)29-16/h1-10,12H,11,13H2,(H,23,27)(H,25,28)