N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-fluoro-benzothiophene-2-carboxamide Formula: C21H18FN3OS MolecularWeight: 379.450523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC4=C(C=CC=C4S3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC4=C(C=CC=C4S3)F)C

InChI

InChI=1S/C21H18FN3OS/c1-12-7-9-15(10-8-12)25-14(3)20(13(2)24-25)23-21(26)19-11-16-17(22)5-4-6-18(16)27-19/h4-11H,1-3H3,(H,23,26)