1-[5-(2,4-dinitrophenyl)sulfanyl-1,2,3-triazol-4-ylidene]-N',N'-dimethyl-methanediamine

Systemtic Name: 1-[5-(2,4-dinitrophenyl)sulfanyl-1,2,3-triazol-4-ylidene]-N',N'-dimethyl-methanediamine Openeye Name: 1-[5-(2,4-dinitrophenyl)sulfanyltriazol-4-ylidene]-N',N'-dimethyl-methanediamine CAS Name: 1-[5-[(2,4-dinitrophenyl)thio]-4-triazolylidene]-N',N'-dimethylmethanediamine IUPAC Name: 1-[5-(2,4-dinitrophenyl)sulfanyltriazol-4-ylidene]-N',N'-dimethylmethanediamine Traditional Name: [amino-[5-[(2,4-dinitrophenyl)thio]triazol-4-ylidene]methyl]-dimethyl-amine Formula: C11H11N7O4S MolecularWeight: 337.31454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=C1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CN(C)C(=C1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C11H11N7O4S/c1-16(2)10(12)9-11(14-15-13-9)23-8-4-3-6(17(19)20)5-7(8)18(21)22/h3-5H,12H2,1-2H3