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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-cyclohexyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-cyclohexyl-4-methyl-1,2,4-triazole Formula: C16H20ClN3S MolecularWeight: 321.8681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3CCCCC3

InChI

InChI=1S/C16H20ClN3S/c1-20-15(13-5-3-2-4-6-13)18-19-16(20)21-11-12-7-9-14(17)10-8-12/h7-10,13H,2-6,11H2,1H3