3-(1-adamantylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluorophenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluoro-benzyl)thio]-4-ethyl-1,2,4-triazole Formula: C22H27ClFN3S MolecularWeight: 419.986283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClFN3S/c1-2-27-20(12-22-9-14-5-15(10-22)7-16(6-14)11-22)25-26-21(27)28-13-17-3-4-18(24)8-19(17)23/h3-4,8,14-16H,2,5-7,9-13H2,1H3