(E)-1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-diazonio-ethenolate

Systemtic Name: (E)-1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-diazonio-ethenolate Openeye Name: (E)-1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-diazonio-ethenolate CAS Name: (E)-1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-2-diazonioethenolate IUPAC Name: (E)-1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]-2-diazonioethenolate Traditional Name: (E)-1-[4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]-2-diazonio-ethenolate Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=C[N+]#N)[O-])SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2/C(=C\[N+]#N)/[O-])SC)Cl

InChI

InChI=1S/C15H14ClN5O2S/c1-23-13-4-3-9(5-11(13)16)6-18-14-10(12(22)8-20-17)7-19-15(21-14)24-2/h3-5,7-8H,6H2,1-2H3,(H-,18,19,21,22)/b12-8+