2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-1-pyrrolidino-ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C15H19N5OS/c16-14-17-18-15(22-11-12-6-2-1-3-7-12)20(14)10-13(21)19-8-4-5-9-19/h1-3,6-7H,4-5,8-11H2,(H2,16,17)