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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C18H16FN3O3S/c1-24-15-8-7-11(9-16(15)25-2)14(23)10-26-18-20-17(21-22-18)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,21,22)