2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N,N-diethyl-propanamide

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N,N-diethyl-propanamide Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N,N-diethyl-propanamide CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-N,N-diethylpropanamide IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N,N-diethylpropanamide Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-N,N-diethyl-propionamide Formula: C16H22ClN5OS MolecularWeight: 367.89678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)N1C(=NN=C1SCC2=CC=CC=C2Cl)N

Isomeric SMILES

CCN(CC)C(=O)C(C)N1C(=NN=C1SCC2=CC=CC=C2Cl)N

InChI

InChI=1S/C16H22ClN5OS/c1-4-21(5-2)14(23)11(3)22-15(18)19-20-16(22)24-10-12-8-6-7-9-13(12)17/h6-9,11H,4-5,10H2,1-3H3,(H2,18,19)