(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H16N4O3S2 MolecularWeight: 460.52814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H16N4O3S2/c28-21-17-5-1-2-6-18(17)25-26-27(21)14-30-22(29)16-11-9-15(10-12-16)13-31-23-24-19-7-3-4-8-20(19)32-23/h1-12H,13-14H2