4-cyclohexyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C20H22FN3O2S MolecularWeight: 387.470983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)F

InChI

InChI=1S/C20H22FN3O2S/c1-25-17-10-9-14(12-16(17)21)13-27-20-23-22-19(18-8-5-11-26-18)24(20)15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3