(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)SC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c26-21-18-13-7-8-14-19(18)23-24-25(21)15-28-22(27)20(16-9-3-1-4-10-16)29-17-11-5-2-6-12-17/h1-14,20H,15H2