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

Systemtic Name: (5Z)-2-azanyl-5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-amino-5-[(4-isopropyl-3-nitro-phenyl)methylene]thiazol-4-one CAS Name: (5Z)-2-amino-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-amino-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-amino-5-(4-isopropyl-3-nitro-benzylidene)-2-thiazolin-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-7(2)9-4-3-8(5-10(9)16(18)19)6-11-12(17)15-13(14)20-11/h3-7H,1-2H3,(H2,14,15,17)/b11-6-