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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-1-morpholino-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-1-(4-morpholinyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-1-morpholino-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C24H20N6O4S MolecularWeight: 488.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H20N6O4S/c31-23(29-10-12-34-13-11-29)17(22-27-18-4-1-2-5-19(18)28-22)14-16-6-7-21(20(15-16)30(32)33)35-24-25-8-3-9-26-24/h1-9,14-15H,10-13H2,(H,27,28)/b17-14+