4-[(4-chloranyl-3-nitro-phenyl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: 2-benzylsulfanyl-4-[(4-chloro-3-nitro-phenyl)methylene]thiazol-5-one CAS Name: 4-[(4-chloro-3-nitrophenyl)methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: 2-benzylsulfanyl-4-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazol-5-one Traditional Name: 2-(benzylthio)-4-(4-chloro-3-nitro-benzylidene)-2-thiazolin-5-one Formula: C17H11ClN2O3S2 MolecularWeight: 390.86384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)S2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)S2

InChI

InChI=1S/C17H11ClN2O3S2/c18-13-7-6-12(9-15(13)20(22)23)8-14-16(21)25-17(19-14)24-10-11-4-2-1-3-5-11/h1-9H,10H2