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

Systemtic Name: N-[[5-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenyl-pyrazol-3-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[5-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-phenyl-3-pyrazolyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylpyrazol-3-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-[1-(4-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=C(C=C5)F)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=C(C=C5)F)C

InChI

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