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

Systemtic Name: (4E)-5-(3-nitrophenyl)-1,1-bis(phenylmethylsulfanyl)penta-1,4-dien-3-one Openeye Name: (4E)-1,1-bis(benzylsulfanyl)-5-(3-nitrophenyl)penta-1,4-dien-3-one CAS Name: (4E)-5-(3-nitrophenyl)-1,1-bis(phenylmethylthio)-3-penta-1,4-dienone IUPAC Name: (4E)-1,1-bis(benzylsulfanyl)-5-(3-nitrophenyl)penta-1,4-dien-3-one Traditional Name: (4E)-1,1-bis(benzylthio)-5-(3-nitrophenyl)penta-1,4-dien-3-one Formula: C25H21NO3S2 MolecularWeight: 447.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C25H21NO3S2/c27-24(15-14-20-12-7-13-23(16-20)26(28)29)17-25(30-18-21-8-3-1-4-9-21)31-19-22-10-5-2-6-11-22/h1-17H,18-19H2/b15-14+