4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C21H17ClN4S MolecularWeight: 392.90448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H17ClN4S/c22-17-10-6-15(7-11-17)14-27-21-25-24-20(16-8-12-18(23)13-9-16)26(21)19-4-2-1-3-5-19/h1-13H,14,23H2