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

Systemtic Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]benzamide Openeye Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]benzamide CAS Name: N-[[[5-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]benzamide Traditional Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]benzamide Formula: C29H24BrN5OS MolecularWeight: 570.50276

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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)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C3=NN(C(=C3)NC(=S)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24BrN5OS/c1-19-17-25(20(2)34(19)23-15-13-22(30)14-16-23)26-18-27(35(33-26)24-11-7-4-8-12-24)31-29(37)32-28(36)21-9-5-3-6-10-21/h3-18H,1-2H3,(H2,31,32,36,37)