3-[(3-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-diisopropyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4,5-di(propan-2-yl)-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4,5-diisopropyl-1,2,4-triazole Formula: C15H20ClN3S MolecularWeight: 309.8574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3S/c1-10(2)14-17-18-15(19(14)11(3)4)20-9-12-6-5-7-13(16)8-12/h5-8,10-11H,9H2,1-4H3