4-(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazolidin-5-imine

Systemtic Name: 4-(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazolidin-5-imine Openeye Name: 4-(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)thiatriazolidin-5-imine CAS Name: 4-(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)-5-thiatriazolidinimine IUPAC Name: 4-(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)thiatriazolidin-5-imine Traditional Name: [4-(4-methoxyphenyl)thiatriazolidin-5-ylidene]-picryl-amine Formula: C14H11N7O7S MolecularWeight: 421.34484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SNN2

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SNN2

InChI

InChI=1S/C14H11N7O7S/c1-28-10-4-2-8(3-5-10)18-14(29-17-16-18)15-13-11(20(24)25)6-9(19(22)23)7-12(13)21(26)27/h2-7,16-17H,1H3