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

Systemtic Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H18N4O2S3 MolecularWeight: 394.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4O2S3/c1-3-20-13(18-19-15(20)23-10-14(21)22-4-2)9-24-16-17-11-7-5-6-8-12(11)25-16/h5-8H,3-4,9-10H2,1-2H3