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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

InChI

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