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

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

CCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=C(OC=C3)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=C(OC=C3)C

InChI

InChI=1S/C19H21N3O2S/c1-3-4-11-22-18(16-10-12-24-14(16)2)20-21-19(22)25-13-17(23)15-8-6-5-7-9-15/h5-10,12H,3-4,11,13H2,1-2H3