3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Openeye Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole CAS Name: 3-[1-(2-chlorophenyl)ethylthio]-5-(cyclopentylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[1-(2-chlorophenyl)ethylthio]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Formula: C16H20ClN3S MolecularWeight: 321.8681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)SC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC(C1=CC=CC=C1Cl)SC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C16H20ClN3S/c1-11(13-8-4-5-9-14(13)17)21-16-18-15(19-20-16)10-12-6-2-3-7-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19,20)