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

Systemtic Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-butyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3=CC=CO3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3=CC=CO3

InChI

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