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

Systemtic Name: 3-(1-adamantylmethyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(2-fluorobenzyl)thio]-1,2,4-triazole Formula: C23H28FN3S MolecularWeight: 397.551923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28FN3S/c1-2-7-27-21(14-23-11-16-8-17(12-23)10-18(9-16)13-23)25-26-22(27)28-15-19-5-3-4-6-20(19)24/h2-6,16-18H,1,7-15H2