(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-2-phenylazanyl-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-2-phenylazanyl-1,3-thiazol-4-one Openeye Name: (5E)-2-anilino-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]thiazol-4-one CAS Name: (5E)-2-anilino-5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-4-thiazolone IUPAC Name: (5E)-2-anilino-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-anilino-5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-2-thiazolin-4-one Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c22-8-9-26-15-7-6-12(10-14(15)21(24)25)11-16-17(23)20-18(27-16)19-13-4-2-1-3-5-13/h1-7,10-11,22H,8-9H2,(H,19,20,23)/b16-11+