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

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Openeye Name: 4-[(4-methoxy-3-nitro-phenyl)methylene]-2-propylsulfanyl-thiazol-5-one CAS Name: 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-(propylthio)-5-thiazolone IUPAC Name: 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Traditional Name: 4-(4-methoxy-3-nitro-benzylidene)-2-(propylthio)-2-thiazolin-5-one Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)S1

Isomeric SMILES

CCCSC1=NC(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)S1

InChI

InChI=1S/C14H14N2O4S2/c1-3-6-21-14-15-10(13(17)22-14)7-9-4-5-12(20-2)11(8-9)16(18)19/h4-5,7-8H,3,6H2,1-2H3