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

Systemtic Name: 3-(2-cyclohexylethyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-cyclohexylethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-cyclohexylethyl)-5-[(2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-cyclohexylethyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-cyclohexylethyl)-5-[(2-fluorobenzyl)thio]-1,2,4-triazole Formula: C20H26FN3S MolecularWeight: 359.503943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)CCC3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)CCC3CCCCC3

InChI

InChI=1S/C20H26FN3S/c1-2-14-24-19(13-12-16-8-4-3-5-9-16)22-23-20(24)25-15-17-10-6-7-11-18(17)21/h2,6-7,10-11,16H,1,3-5,8-9,12-15H2