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

Systemtic Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-(4-phenylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-(4-phenylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-(4-phenylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O3S/c29-23(21-11-9-20(10-12-21)19-5-2-1-3-6-19)13-7-18-8-14-24(22(17-18)28(30)31)32-25-26-15-4-16-27-25/h1-17H/b13-7+