1-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[5-nitro-2-(2-pyrimidinylthio)phenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[5-nitro-2-(2-pyrimidylthio)benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C13H9N7O2S MolecularWeight: 327.32126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N3C=NN=C3

InChI

InChI=1S/C13H9N7O2S/c21-20(22)11-2-3-12(23-13-14-4-1-5-15-13)10(6-11)7-18-19-8-16-17-9-19/h1-9H/b18-7+