2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C19H27N5OS/c1-2-10-20-18(25)15-26-19-22-21-17(14-23-11-6-7-12-23)24(19)13-16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3,(H,20,25)