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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H23N5O2S/c1-14(2)20-25-26-22(27(20)13-16-7-6-12-29-16)30-15(3)21(28)24-19-10-4-9-18-17(19)8-5-11-23-18/h4-12,14-15H,13H2,1-3H3,(H,24,28)