2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S/c1-2-12-3-5-13(6-4-12)18-21-14(11-28-18)10-22-19(24)16-8-7-15(23(26)27)9-17(16)20(22)25/h3-9,11H,2,10H2,1H3