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

Systemtic Name: 2-phenyl-1-pyrrolidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-phenyl-1-pyrrolidin-1-yl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-phenyl-1-(1-pyrrolidinyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 2-phenyl-1-pyrrolidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-phenyl-1-pyrrolidino-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4OS2 MolecularWeight: 370.49172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N4OS2/c23-17(22-10-4-5-11-22)15(13-7-2-1-3-8-13)25-18-19-16(20-21-18)14-9-6-12-24-14/h1-3,6-9,12,15H,4-5,10-11H2,(H,19,20,21)