4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylthio]-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C28H31N3O2S MolecularWeight: 473.62964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N3O2S/c1-32-24-14-16-25(17-15-24)33-18-19-34-28-30-29-27(31(28)23-11-3-2-4-12-23)20-22-10-7-9-21-8-5-6-13-26(21)22/h5-10,13-17,23H,2-4,11-12,18-20H2,1H3