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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]-1-morpholino-prop-2-en-1-one Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)C(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C3=NC4=CC=CC=C4N3)/C(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4S/c1-28-9-8-25-24(28)35-21-7-6-16(15-20(21)30(32)33)14-17(23(31)29-10-12-34-13-11-29)22-26-18-4-2-3-5-19(18)27-22/h2-9,14-15H,10-13H2,1H3,(H,26,27)/b17-14+