2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C26H32N6OS MolecularWeight: 476.63688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C26H32N6OS/c33-25(27-21-11-13-22(14-12-21)31-17-5-2-6-18-31)20-34-26-29-28-24(19-30-15-7-8-16-30)32(26)23-9-3-1-4-10-23/h1,3-4,9-14H,2,5-8,15-20H2,(H,27,33)