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

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one Openeye Name: 2-allylsulfanyl-4-[(4-chloro-3-nitro-phenyl)methylene]thiazol-5-one CAS Name: 4-[(4-chloro-3-nitrophenyl)methylidene]-2-(prop-2-enylthio)-5-thiazolone IUPAC Name: 4-[(4-chloro-3-nitrophenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one Traditional Name: 2-(allylthio)-4-(4-chloro-3-nitro-benzylidene)-2-thiazolin-5-one Formula: C13H9ClN2O3S2 MolecularWeight: 340.80516

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)S1

Isomeric SMILES

C=CCSC1=NC(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)S1

InChI

InChI=1S/C13H9ClN2O3S2/c1-2-5-20-13-15-10(12(17)21-13)6-8-3-4-9(14)11(7-8)16(18)19/h2-4,6-7H,1,5H2