2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-5-(1-naphthalenylmethyl)-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenylpyrimidin-4-olate Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-5-(1-naphthylmethyl)-6-phenyl-pyrimidin-4-olate Formula: C29H22N3O4S- MolecularWeight: 508.56768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O4S/c1-36-26-15-14-19(16-25(26)32(34)35)18-37-29-30-27(21-9-3-2-4-10-21)24(28(33)31-29)17-22-12-7-11-20-8-5-6-13-23(20)22/h2-16H,17-18H2,1H3,(H,30,31,33)/p-1