N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[5-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C26H26FN5OS MolecularWeight: 475.580943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C3=NN(C(=C3)NC(=S)NC(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C3=NN(C(=C3)NC(=S)NC(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26FN5OS/c1-16(2)25(33)29-26(34)28-24-15-22(30-32(24)19-10-6-5-7-11-19)20-14-17(3)31(18(20)4)23-13-9-8-12-21(23)27/h5-16H,1-4H3,(H2,28,29,33,34)