3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H16ClN3OS MolecularWeight: 345.84644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-12-2-4-13(5-3-12)16-19-17(21-20-16)23-11-10-22-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)