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

Systemtic Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[4-butyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-3-4-11-22-18(17-6-5-12-25-17)20-21-19(22)26-13-16(23)14-7-9-15(24-2)10-8-14/h5-10,12H,3-4,11,13H2,1-2H3