2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C14H16N4OS MolecularWeight: 288.36804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H16N4OS/c19-13(17-8-4-5-9-17)10-20-14-15-11-18(16-14)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2