2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-5-(phenylcarbonyl)-1,2-thiazol-3-one

Systemtic Name: 2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-5-(phenylcarbonyl)-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-[2-(2-chloro-4-nitro-anilino)ethyl]isothiazol-3-one CAS Name: 5-benzoyl-2-[2-(2-chloro-4-nitroanilino)ethyl]-3-isothiazolone IUPAC Name: 5-benzoyl-2-[2-(2-chloro-4-nitroanilino)ethyl]-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-[2-(2-chloro-4-nitro-anilino)ethyl]-4-isothiazolin-3-one Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=O)N(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=O)N(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4S/c19-14-10-13(22(25)26)6-7-15(14)20-8-9-21-17(23)11-16(27-21)18(24)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2