4-(4-chlorophenyl)-3-cyclohexyl-5-(octadecyldisulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-cyclohexyl-5-(octadecyldisulfanyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-cyclohexyl-5-(octadecyldisulfanyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-cyclohexyl-5-(octadecyldisulfanyl)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-cyclohexyl-5-(octadecyldisulfanyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-cyclohexyl-5-(stearyldisulfanyl)-1,2,4-triazole Formula: C32H52ClN3S2 MolecularWeight: 578.35838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3CCCCC3

InChI

InChI=1S/C32H52ClN3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-37-38-32-35-34-31(28-21-18-17-19-22-28)36(32)30-25-23-29(33)24-26-30/h23-26,28H,2-22,27H2,1H3