(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H14N4O3S/c25-19-15-9-4-5-11-17(15)22-23-24(19)13-27-20(26)16-10-6-12-21-18(16)28-14-7-2-1-3-8-14/h1-12H,13H2