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

Systemtic Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclohexyl-5-[(2-fluorobenzyl)thio]-1,2,4-triazole Formula: C18H22FN3S MolecularWeight: 331.450783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2F)C3CCCCC3

InChI

InChI=1S/C18H22FN3S/c1-2-12-22-17(14-8-4-3-5-9-14)20-21-18(22)23-13-15-10-6-7-11-16(15)19/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2