ethyl 5-bromanyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C4=CC=CS4

InChI

InChI=1S/C20H18BrN3O3S2/c1-3-24-18(16-6-5-9-28-16)22-23-20(24)29-11-14-13-10-12(21)7-8-15(13)27-17(14)19(25)26-4-2/h5-10H,3-4,11H2,1-2H3