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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)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-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H14BrN3O3S/c1-11-8-12(18)6-7-15(11)25-9-16(22)24-10-21-17(23)13-4-2-3-5-14(13)19-20-21/h2-8H,9-10H2,1H3