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

Systemtic Name: 4-(4-nitrophenyl)-5-(propan-2-ylamino)-1,2-thiazol-3-one Openeye Name: 5-(isopropylamino)-4-(4-nitrophenyl)isothiazol-3-one CAS Name: 4-(4-nitrophenyl)-5-(propan-2-ylamino)-3-isothiazolone IUPAC Name: 4-(4-nitrophenyl)-5-(propan-2-ylamino)-1,2-thiazol-3-one Traditional Name: 5-(isopropylamino)-4-(4-nitrophenyl)-4-isothiazolin-3-one Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=O)NS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=O)NS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-7(2)13-12-10(11(16)14-19-12)8-3-5-9(6-4-8)15(17)18/h3-7,13H,1-2H3,(H,14,16)