N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-thiophene-2-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-thiophene-2-carboxamide Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3OS/c1-15-11-12-28-21(15)22(27)24-13-17-14-26(19-5-3-2-4-6-19)25-20(17)16-7-9-18(23)10-8-16/h2-12,14H,13H2,1H3,(H,24,27)