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

Systemtic Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline Openeye Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline CAS Name: 2-[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline Traditional Name: [2-[5-[(4-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C17H17ClN4S MolecularWeight: 344.86168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3N

InChI

InChI=1S/C17H17ClN4S/c1-2-22-16(14-5-3-4-6-15(14)19)20-21-17(22)23-11-12-7-9-13(18)10-8-12/h3-10H,2,11,19H2,1H3