3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C26H26ClN3S MolecularWeight: 448.02274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H26ClN3S/c27-22-15-13-19(14-16-22)18-31-26-29-28-25(30(26)23-10-2-1-3-11-23)17-21-9-6-8-20-7-4-5-12-24(20)21/h4-9,12-16,23H,1-3,10-11,17-18H2