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

Systemtic Name: 3-(1-adamantylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-chloro-4-fluoro-benzyl)thio]-1,2,4-triazole Formula: C23H27ClFN3S MolecularWeight: 431.996983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN3S/c1-2-5-28-21(13-23-10-15-6-16(11-23)8-17(7-15)12-23)26-27-22(28)29-14-18-3-4-19(25)9-20(18)24/h2-4,9,15-17H,1,5-8,10-14H2