(E)-1-(1-benzofuran-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-benzofuran-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(benzofuran-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(2-benzofuranyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-benzofuran-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(benzofuran-2-yl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S/c25-17(19-13-15-4-1-2-5-18(15)28-19)8-6-14-7-9-20(16(12-14)24(26)27)29-21-22-10-3-11-23-21/h1-13H/b8-6+