aluminum [5-(1-adamantylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfonylazanide

Systemtic Name: aluminum [5-(1-adamantylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfonylazanide Openeye Name: aluminum [5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfonylazanide CAS Name: aluminum [5-[[1-adamantyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide IUPAC Name: aluminum [5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfonylazanide Traditional Name: aluminum [5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfonylazanide Formula: C39H51AlN12O9S6 MolecularWeight: 1051.268778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].[Al+3]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)[NH-].[Al+3]

InChI

InChI=1S/3C13H18N4O3S2.Al/c3*14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13;/h3*7-9H,1-6H2,(H3,14,15,16,18,19,20);/q;;;+3/p-3