(E)-3-(1,3-benzodioxol-5-yl)-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[3-nitro-4-(2-pyridylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[3-nitro-4-(2-pyridinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[3-nitro-4-(2-pyridylthio)phenyl]prop-2-en-1-one Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC(=C(C=C3)SC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC(=C(C=C3)SC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c24-17(7-4-14-5-8-18-19(11-14)28-13-27-18)15-6-9-20(16(12-15)23(25)26)29-21-3-1-2-10-22-21/h1-12H,13H2/b7-4+