(E)-1-(1-benzofuran-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-benzofuran-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(benzofuran-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(2-benzofuranyl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-benzofuran-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(benzofuran-2-yl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C21H15N3O4S MolecularWeight: 405.4265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=CC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-23-11-10-22-21(23)29-20-9-7-14(12-16(20)24(26)27)6-8-17(25)19-13-15-4-2-3-5-18(15)28-19/h2-13H,1H3/b8-6+