ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)OCC)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)OCC)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S3/c1-3-24-17(12-29-20-21-14-7-5-6-8-16(14)30-20)22-23-19(24)28-11-15-13(9-10-27-15)18(25)26-4-2/h5-10H,3-4,11-12H2,1-2H3