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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-chlorobenzyl)thio]-5-(p-tolyl)-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=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Cl

InChI

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