2-(4-butylphenyl)-N-oxidanyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-5-amine oxide

Systemtic Name: 2-(4-butylphenyl)-N-oxidanyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-5-amine oxide Openeye Name: 2-(4-butylphenyl)-N-hydroxy-3-oxo-isothiazolo[5,4-b]pyridin-5-amine oxide CAS Name: 2-(4-butylphenyl)-N-hydroxy-3-oxo-5-isothiazolo[5,4-b]pyridinamine oxide IUPAC Name: 2-(4-butylphenyl)-N-hydroxy-3-oxo-[1,2]thiazolo[5,4-b]pyridin-5-amine oxide Traditional Name: 2-(4-butylphenyl)-N-hydroxy-3-keto-isothiazolo[5,4-b]pyridin-5-amine oxide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC(=CN=C3S2)[NH+](O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC(=CN=C3S2)[NH+](O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-2-3-4-11-5-7-12(8-6-11)18-16(20)14-9-13(19(21)22)10-17-15(14)23-18/h5-10,19,21H,2-4H2,1H3