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

Systemtic Name: 2-[[5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H13N4O3S2- MolecularWeight: 397.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H14N4O3S2/c23-16(24)11-26-17-20-19-15(22(17)12-6-2-1-3-7-12)10-21-13-8-4-5-9-14(13)27-18(21)25/h1-9H,10-11H2,(H,23,24)/p-1