3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-ethyl-5-[(4-fluorobenzyl)thio]-1,2,4-triazole Formula: C22H28FN3S MolecularWeight: 385.541223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28FN3S/c1-2-26-20(13-22-10-16-7-17(11-22)9-18(8-16)12-22)24-25-21(26)27-14-15-3-5-19(23)6-4-15/h3-6,16-18H,2,7-14H2,1H3