2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-isobutyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-isobutyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC(C)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC(C)C)SCC(=O)C3=CC=CC=C3

InChI

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