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

Systemtic Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[[5-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]-4-chloro-benzamide Formula: C29H23BrClN5OS MolecularWeight: 604.94782

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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=C(C=C4)Cl)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=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H23BrClN5OS/c1-18-16-25(19(2)35(18)23-14-10-21(30)11-15-23)26-17-27(36(34-26)24-6-4-3-5-7-24)32-29(38)33-28(37)20-8-12-22(31)13-9-20/h3-17H,1-2H3,(H2,32,33,37,38)