2-(4-butylphenyl)-5-nitro-[1,2]thiazolo[5,4-b]pyridin-3-one

Systemtic Name: 2-(4-butylphenyl)-5-nitro-[1,2]thiazolo[5,4-b]pyridin-3-one Openeye Name: 2-(4-butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one CAS Name: 2-(4-butylphenyl)-5-nitro-3-isothiazolo[5,4-b]pyridinone IUPAC Name: 2-(4-butylphenyl)-5-nitro-[1,2]thiazolo[5,4-b]pyridin-3-one Traditional Name: 2-(4-butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/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/h5-10H,2-4H2,1H3