(4E)-1,1-bis(methylsulfanyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one

Systemtic Name: (4E)-1,1-bis(methylsulfanyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one Openeye Name: (4E)-1,1-bis(methylsulfanyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one CAS Name: (4E)-1,1-bis(methylthio)-5-(4-nitrophenyl)-3-penta-1,4-dienone IUPAC Name: (4E)-1,1-bis(methylsulfanyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one Traditional Name: (4E)-1,1-bis(methylthio)-5-(4-nitrophenyl)penta-1,4-dien-3-one Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-])SC

Isomeric SMILES

CSC(=CC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C13H13NO3S2/c1-18-13(19-2)9-12(15)8-5-10-3-6-11(7-4-10)14(16)17/h3-9H,1-2H3/b8-5+