(E)-3-(4-ethylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-ethylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(ethylthio)-3,5-dinitrophenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-ethylsulfanyl-3,5-dinitrophenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(ethylthio)-3,5-dinitro-phenyl]-1-phenyl-prop-2-en-1-one Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1[N+](=O)[O-])C=CC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1[N+](=O)[O-])/C=C/C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c1-2-25-17-14(18(21)22)10-12(11-15(17)19(23)24)8-9-16(20)13-6-4-3-5-7-13/h3-11H,2H2,1H3/b9-8+