2-[[4-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-dimethylaminophenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(dimethylamino)benzyl]acetamide Formula: C25H31ClN6OS MolecularWeight: 499.07124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CN4CCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CN4CCCCC4

InChI

InChI=1S/C25H31ClN6OS/c1-30(2)21-10-6-19(7-11-21)16-27-24(33)18-34-25-29-28-23(17-31-14-4-3-5-15-31)32(25)22-12-8-20(26)9-13-22/h6-13H,3-5,14-18H2,1-2H3,(H,27,33)