2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2,6-ditert-butyl-4-(5-thioxo-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)-1-cyclohexa-2,5-dienone; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2,6-ditert-butyl-4-(5-thioxo-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one; 2-hydroxyethyl(trimethyl)ammonium Formula: C21H36N3O2S2+ MolecularWeight: 426.65944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NNC(=S)S2)C=C(C1=O)C(C)(C)C.C[N+](C)(C)CCO

Isomeric SMILES

CC(C)(C)C1=CC(=C2NNC(=S)S2)C=C(C1=O)C(C)(C)C.C[N+](C)(C)CCO

InChI

InChI=1S/C16H22N2OS2.C5H14NO/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;1-6(2,3)4-5-7/h7-8,17H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1