4-cyclohexyl-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[2-(4-fluorophenoxy)ethylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[2-(4-fluorophenoxy)ethylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C21H24FN3OS2 MolecularWeight: 417.563163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=C(C=C3)F)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=C(C=C3)F)CC4=CC=CS4

InChI

InChI=1S/C21H24FN3OS2/c22-16-8-10-18(11-9-16)26-12-14-28-21-24-23-20(15-19-7-4-13-27-19)25(21)17-5-2-1-3-6-17/h4,7-11,13,17H,1-3,5-6,12,14-15H2