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

Systemtic Name: 1-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[2-[(4,6-diphenylpyrimidin-2-yl)thio]-5-nitro-benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C25H17N7O2S MolecularWeight: 479.51318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=NN4C=NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])/C=N/N4C=NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H17N7O2S/c33-32(34)21-11-12-24(20(13-21)15-28-31-16-26-27-17-31)35-25-29-22(18-7-3-1-4-8-18)14-23(30-25)19-9-5-2-6-10-19/h1-17H/b28-15+