1-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[4-[(4,6-diphenyl-2-pyrimidinyl)thio]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[4-[(4,6-diphenylpyrimidin-2-yl)thio]-3-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)C=NN4C=NN=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

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

InChI

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