(2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-propyl-pyrrolidine-1-carboxamide

Systemtic Name: (2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-propyl-pyrrolidine-1-carboxamide Openeye Name: (2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-propyl-pyrrolidine-1-carboxamide CAS Name: (2R)-2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-N-propyl-1-pyrrolidinecarboxamide IUPAC Name: (2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-propylpyrrolidine-1-carboxamide Traditional Name: (2R)-2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-N-propyl-pyrrolidine-1-carboxamide Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCC1C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)N1CCC[C@@H]1C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-3-11-19-17(24)23-12-7-10-15(23)16-20-21-18(22(16)2)25-13-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3,(H,19,24)/t15-/m1/s1