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

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-cyclohexyl-propanamide Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-cyclohexyl-propanamide CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-N-cyclohexylpropanamide IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-cyclohexylpropanamide Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-N-cyclohexyl-propionamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC(C(=O)NC1CCCCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C18H24ClN5OS/c1-12(16(25)21-14-8-3-2-4-9-14)24-17(20)22-23-18(24)26-11-13-7-5-6-10-15(13)19/h5-7,10,12,14H,2-4,8-9,11H2,1H3,(H2,20,22)(H,21,25)