2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3CC4=CC=CO4)N5CCCC5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3CC4=CC=CO4)N5CCCC5

InChI

InChI=1S/C23H24N6O2S/c1-16(21(30)25-20-10-4-9-19-18(20)8-5-11-24-19)32-23-27-26-22(28-12-2-3-13-28)29(23)15-17-7-6-14-31-17/h4-11,14,16H,2-3,12-13,15H2,1H3,(H,25,30)