2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)ethanone Formula: C22H18FN3OS2 MolecularWeight: 423.526223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4)C

InChI

InChI=1S/C22H18FN3OS2/c1-14-5-3-6-18(15(14)2)26-21(20-7-4-12-28-20)24-25-22(26)29-13-19(27)16-8-10-17(23)11-9-16/h3-12H,13H2,1-2H3