3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H13Cl2N3S MolecularWeight: 350.26552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3S/c1-10-2-5-12(6-3-10)15-19-16(21-20-15)22-9-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,20,21)