N-(2,5-dimethylpyrazol-3-yl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4)C

InChI

InChI=1S/C21H18FN3O2S/c1-13-11-18(25(2)24-13)23-21(26)20-15(12-27-14-7-4-3-5-8-14)19-16(22)9-6-10-17(19)28-20/h3-11H,12H2,1-2H3,(H,23,26)