(E)-1-(6-methoxynaphthalen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6-methoxynaphthalen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(6-methoxy-2-naphthyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(6-methoxy-2-naphthalenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(6-methoxynaphthalen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(6-methoxy-2-naphthyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C24H17N3O4S MolecularWeight: 443.47448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O4S/c1-31-20-8-7-17-14-19(6-5-18(17)15-20)22(28)9-3-16-4-10-23(21(13-16)27(29)30)32-24-25-11-2-12-26-24/h2-15H,1H3/b9-3+