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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-4-cyclohexyl-5-(2-thenyl)-1,2,4-triazole Formula: C21H24BrN3OS2 MolecularWeight: 478.46876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3OS2/c22-16-6-4-9-18(14-16)26-11-13-28-21-24-23-20(15-19-10-5-12-27-19)25(21)17-7-2-1-3-8-17/h4-6,9-10,12,14,17H,1-3,7-8,11,13,15H2