2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-propyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-propyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CO2)SCC(=O)N3CCCC3

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CO2)SCC(=O)N3CCCC3

InChI

InChI=1S/C16H22N4O2S/c1-2-6-14-17-18-16(20(14)11-13-7-5-10-22-13)23-12-15(21)19-8-3-4-9-19/h5,7,10H,2-4,6,8-9,11-12H2,1H3