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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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