2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C17H20N4OS/c22-15(20-10-4-5-11-20)12-23-17-19-18-16(13-8-9-13)21(17)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2