N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C22H20FN3O2S MolecularWeight: 409.476503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

InChI

InChI=1S/C22H20FN3O2S/c1-13-20(14(2)26(25-13)15-8-5-4-6-9-15)24-22(27)21-16(12-28-3)19-17(23)10-7-11-18(19)29-21/h4-11H,12H2,1-3H3,(H,24,27)