2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)18-20-21-19(22(18)12-16-10-7-11-24-16)25-14(3)17(23)15-8-5-4-6-9-15/h4-11,13-14H,12H2,1-3H3