5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 5-[[4-(3,4-dichlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-pentan-1-one Formula: C23H24Cl2N4OS MolecularWeight: 475.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H24Cl2N4OS/c24-19-12-11-18(16-20(19)25)29-22(17-8-2-1-3-9-17)26-27-23(29)31-15-7-4-10-21(30)28-13-5-6-14-28/h1-3,8-9,11-12,16H,4-7,10,13-15H2