N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[5-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C26H26BrN5OS MolecularWeight: 536.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C3=NN(C(=C3)NC(=S)NC(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C3=NN(C(=C3)NC(=S)NC(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26BrN5OS/c1-16(2)25(33)29-26(34)28-24-15-23(30-32(24)21-8-6-5-7-9-21)22-14-17(3)31(18(22)4)20-12-10-19(27)11-13-20/h5-16H,1-4H3,(H2,28,29,33,34)