3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-5-[(4-fluorobenzyl)thio]-4-methyl-1,2,4-triazole Formula: C20H24FN3S MolecularWeight: 357.488063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24FN3S/c1-24-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-23-19(24)25-12-13-2-4-17(21)5-3-13/h2-5,14-16H,6-12H2,1H3