3-(1-adamantylmethyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazole Formula: C23H27ClFN3S MolecularWeight: 431.996983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CC34CC5CC(C3)CC(C5)C4

InChI

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