5-tert-butyl-3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 5-tert-butyl-3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-tert-butyl-3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-tert-butyl-3-[[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-tert-butyl-3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-tert-butyl-3-[[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H29N5O2S/c1-22(2,3)20-23-18(26-29-20)14-30-21-25-24-19(16-12-8-9-13-17(16)28-4)27(21)15-10-6-5-7-11-15/h8-9,12-13,15H,5-7,10-11,14H2,1-4H3