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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3

InChI

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