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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-ethyl-5-(m-tolyl)-1,2,4-triazole Formula: C18H18ClN3S MolecularWeight: 343.87362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H18ClN3S/c1-3-22-17(15-6-4-5-13(2)11-15)20-21-18(22)23-12-14-7-9-16(19)10-8-14/h4-11H,3,12H2,1-2H3