3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole Openeye Name: 3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylthio)-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole Traditional Name: 3-cyclohexyl-4-(2-methoxyphenyl)-5-(4-phenylbutylthio)-1,2,4-triazole Formula: C25H31N3OS MolecularWeight: 421.59814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCCCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCCCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H31N3OS/c1-29-23-18-9-8-17-22(23)28-24(21-15-6-3-7-16-21)26-27-25(28)30-19-11-10-14-20-12-4-2-5-13-20/h2,4-5,8-9,12-13,17-18,21H,3,6-7,10-11,14-16,19H2,1H3