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

Systemtic Name: ethyl 2-[[5-(2-methylfuran-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-isopropyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-methylfuran-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-isopropyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C(C)C)C2=C(OC=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C(C)C)C2=C(OC=C2)C

InChI

InChI=1S/C14H19N3O3S/c1-5-19-12(18)8-21-14-16-15-13(17(14)9(2)3)11-6-7-20-10(11)4/h6-7,9H,5,8H2,1-4H3