3-butan-2-yl-4-(4-ethoxyphenyl)-5-(octyldisulfanyl)-1,2,4-triazole

Systemtic Name: 3-butan-2-yl-4-(4-ethoxyphenyl)-5-(octyldisulfanyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(octyldisulfanyl)-5-sec-butyl-1,2,4-triazole CAS Name: 3-butan-2-yl-4-(4-ethoxyphenyl)-5-(octyldisulfanyl)-1,2,4-triazole IUPAC Name: 3-butan-2-yl-4-(4-ethoxyphenyl)-5-(octyldisulfanyl)-1,2,4-triazole Traditional Name: 3-(octyldisulfanyl)-4-p-phenetyl-5-sec-butyl-1,2,4-triazole Formula: C22H35N3OS2 MolecularWeight: 421.6628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)OCC)C(C)CC

Isomeric SMILES

CCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)OCC)C(C)CC

InChI

InChI=1S/C22H35N3OS2/c1-5-8-9-10-11-12-17-27-28-22-24-23-21(18(4)6-2)25(22)19-13-15-20(16-14-19)26-7-3/h13-16,18H,5-12,17H2,1-4H3