1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C15H13N7O2S MolecularWeight: 355.37442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N3C=NN=C3)C

InChI

InChI=1S/C15H13N7O2S/c1-10-5-11(2)20-15(19-10)25-14-4-3-13(22(23)24)6-12(14)7-18-21-8-16-17-9-21/h3-9H,1-2H3/b18-7+