(5Z)-2-[(3-methylphenyl)amino]-5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-[(3-methylphenyl)amino]-5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(4-isopropyl-3-nitro-phenyl)methylene]-2-(3-methylanilino)thiazol-4-one CAS Name: (5Z)-2-(3-methylanilino)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(3-methylanilino)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-5-(4-isopropyl-3-nitro-benzylidene)-2-(m-toluidino)-2-thiazolin-4-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-12(2)16-8-7-14(10-17(16)23(25)26)11-18-19(24)22-20(27-18)21-15-6-4-5-13(3)9-15/h4-12H,1-3H3,(H,21,22,24)/b18-11-