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

Systemtic Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[5-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C30H26FN5OS MolecularWeight: 523.623743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C4=C(N(C(=C4)C)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C4=C(N(C(=C4)C)C5=CC=CC=C5F)C

InChI

InChI=1S/C30H26FN5OS/c1-19-13-15-22(16-14-19)29(37)33-30(38)32-28-18-26(34-36(28)23-9-5-4-6-10-23)24-17-20(2)35(21(24)3)27-12-8-7-11-25(27)31/h4-18H,1-3H3,(H2,32,33,37,38)