4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluoranylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluoranylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-[(2-fluorophenoxy)methyl]-5-isopropylsulfanyl-4-(1-norbornan-2-ylethyl)-1,2,4-triazole CAS Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-[(2-fluorophenoxy)methyl]-5-(isopropylthio)-4-[1-(2-norbornyl)ethyl]-1,2,4-triazole Formula: C21H28FN3OS MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C(C)C2CC3CCC2C3)COC4=CC=CC=C4F

Isomeric SMILES

CC(C)SC1=NN=C(N1C(C)C2CC3CCC2C3)COC4=CC=CC=C4F

InChI

InChI=1S/C21H28FN3OS/c1-13(2)27-21-24-23-20(12-26-19-7-5-4-6-18(19)22)25(21)14(3)17-11-15-8-9-16(17)10-15/h4-7,13-17H,8-12H2,1-3H3