2-[(2,5-dimethylphenyl)amino]-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)amino]-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(2,5-dimethylanilino)-5-[(2-hydroxy-3-nitro-phenyl)methylene]thiazol-4-one CAS Name: 2-(2,5-dimethylanilino)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: 2-(2,5-dimethylanilino)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(2,5-dimethylanilino)-5-(2-hydroxy-3-nitro-benzylidene)-2-thiazolin-4-one Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])O)S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])O)S2

InChI

InChI=1S/C18H15N3O4S/c1-10-6-7-11(2)13(8-10)19-18-20-17(23)15(26-18)9-12-4-3-5-14(16(12)22)21(24)25/h3-9,22H,1-2H3,(H,19,20,23)