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

Systemtic Name: ethyl 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OCC)C2=C(OC=C2)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OCC)C2=C(OC=C2)C

InChI

InChI=1S/C15H21N3O3S/c1-4-6-8-18-14(12-7-9-21-11(12)3)16-17-15(18)22-10-13(19)20-5-2/h7,9H,4-6,8,10H2,1-3H3