3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C11H12ClN3S MolecularWeight: 253.75108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H12ClN3S/c1-2-10-13-11(15-14-10)16-7-8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,13,14,15)