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

Systemtic Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[5-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[5-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]-2-methyl-benzamide Formula: C30H26BrN5OS MolecularWeight: 584.52934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C30H26BrN5OS/c1-19-9-7-8-12-25(19)29(37)33-30(38)32-28-18-27(34-36(28)24-10-5-4-6-11-24)26-17-20(2)35(21(26)3)23-15-13-22(31)14-16-23/h4-18H,1-3H3,(H2,32,33,37,38)