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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-methyl-4-(p-tolyl)-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C17H16ClN3S/c1-12-6-8-16(9-7-12)21-13(2)19-20-17(21)22-11-14-4-3-5-15(18)10-14/h3-10H,11H2,1-2H3