(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H14BrN3O3S/c21-19-14-6-2-1-5-13(14)9-10-17(19)28-11-18(25)27-12-24-20(26)15-7-3-4-8-16(15)22-23-24/h1-10H,11-12H2