1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H23FN4OS MolecularWeight: 434.529023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4OS/c1-16-13-21(17(2)29(16)14-18-7-5-4-6-8-18)22(30)15-31-24-27-26-23(28(24)3)19-9-11-20(25)12-10-19/h4-13H,14-15H2,1-3H3