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

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-isopropoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-fluorophenyl)methylthio]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-fluorobenzyl)thio]-5-(2-isopropoxyphenyl)-1H-1,2,4-triazole Formula: C18H18FN3OS MolecularWeight: 343.418423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3OS/c1-12(2)23-16-6-4-3-5-15(16)17-20-18(22-21-17)24-11-13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,21,22)