5-(3,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(3,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(3,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(3,5-dimethoxyphenyl)-3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C17H16FN3O2S/c1-22-14-7-12(8-15(9-14)23-2)16-19-17(21-20-16)24-10-11-3-5-13(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,20,21)