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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

InChI

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