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

Systemtic Name: propan-2-yl 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-benzofuranyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=N1)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=N1)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C15H15N3O3S/c1-9(2)20-13(19)8-22-15-16-14(17-18-15)12-7-10-5-3-4-6-11(10)21-12/h3-7,9H,8H2,1-2H3,(H,16,17,18)