3-(4-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-chlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-chlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-chlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H15ClN4S MolecularWeight: 330.8351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4S/c1-11-3-2-4-12(9-11)10-22-16-20-19-15(21(16)18)13-5-7-14(17)8-6-13/h2-9H,10,18H2,1H3