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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(2-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[5-(2-furyl)-4-isobutyl-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)CN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

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