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

Systemtic Name: 4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: 2-benzylsulfanyl-4-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]methylene]thiazol-5-one CAS Name: 4-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: 2-benzylsulfanyl-4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-5-one Traditional Name: 2-(benzylthio)-4-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]methylene]-2-thiazolin-5-one Formula: C21H13ClN2O4S2 MolecularWeight: 456.92192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(=O)S2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(=O)S2

InChI

InChI=1S/C21H13ClN2O4S2/c22-17-10-14(24(26)27)6-8-16(17)19-9-7-15(28-19)11-18-20(25)30-21(23-18)29-12-13-4-2-1-3-5-13/h1-11H,12H2