copper N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine dichloride

Systemtic Name: copper N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine dichloride Openeye Name: copper N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine dichloride CAS Name: copper N-phenyl-5-[(2,4,6-trinitrophenyl)thio]-1,3,4-thiadiazol-2-amine dichloride IUPAC Name: copper N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine dichloride Traditional Name: cupric phenyl-[5-(picrylthio)-1,3,4-thiadiazol-2-yl]amine dichloride Formula: C28H16Cl2CuN12O12S4 MolecularWeight: 975.21184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Cl-].[Cl-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Cl-].[Cl-].[Cu+2]

InChI

InChI=1S/2C14H8N6O6S2.2ClH.Cu/c2*21-18(22)9-6-10(19(23)24)12(11(7-9)20(25)26)27-14-17-16-13(28-14)15-8-4-2-1-3-5-8;;;/h2*1-7H,(H,15,16);2*1H;/q;;;;+2/p-2