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

Systemtic Name: 2-[[4-methyl-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11N4O3S2- MolecularWeight: 335.38144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C13H12N4O3S2/c1-16-10(14-15-12(16)21-7-11(18)19)6-17-8-4-2-3-5-9(8)22-13(17)20/h2-5H,6-7H2,1H3,(H,18,19)/p-1