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

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methylbenzyl)thio]-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)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

InChI

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