5-(methylamino)-4-(4-nitrophenyl)-1,2-thiazol-3-one

Systemtic Name: 5-(methylamino)-4-(4-nitrophenyl)-1,2-thiazol-3-one Openeye Name: 5-(methylamino)-4-(4-nitrophenyl)isothiazol-3-one CAS Name: 5-(methylamino)-4-(4-nitrophenyl)-3-isothiazolone IUPAC Name: 5-(methylamino)-4-(4-nitrophenyl)-1,2-thiazol-3-one Traditional Name: 5-(methylamino)-4-(4-nitrophenyl)-4-isothiazolin-3-one Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)NS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=O)NS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O3S/c1-11-10-8(9(14)12-17-10)6-2-4-7(5-3-6)13(15)16/h2-5,11H,1H3,(H,12,14)