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

Systemtic Name: N-(4-chlorophenyl)-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-chlorophenyl)-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: N-(4-chlorophenyl)-3-[(2-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-chlorophenyl)-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-chlorophenyl)-[3-(o-anisylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C16H15ClN4OS MolecularWeight: 346.8345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4OS/c1-22-14-5-3-2-4-11(14)10-23-16-19-15(20-21-16)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H2,18,19,20,21)