[4-(azocan-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene]-tert-butyl-azanium

Systemtic Name: [4-(azocan-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene]-tert-butyl-azanium Openeye Name: [4-(azocan-1-ium-1-ylmethyl)-5-thioxo-1,3,4-thiadiazolidin-2-ylidene]-tert-butyl-ammonium CAS Name: [4-(1-azocan-1-iumylmethyl)-5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene]-tert-butylammonium IUPAC Name: [4-(azocan-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene]-tert-butylazanium Traditional Name: [4-(azocan-1-ium-1-ylmethyl)-5-thioxo-1,3,4-thiadiazolidin-2-ylidene]-tert-butyl-ammonium Formula: C14H28N4S2+2 MolecularWeight: 316.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]=C1NN(C(=S)S1)C[NH+]2CCCCCCC2

Isomeric SMILES

CC(C)(C)[NH+]=C1NN(C(=S)S1)C[NH+]2CCCCCCC2

InChI

InChI=1S/C14H26N4S2/c1-14(2,3)15-12-16-18(13(19)20-12)11-17-9-7-5-4-6-8-10-17/h4-11H2,1-3H3,(H,15,16)/p+2