2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2,6-ditert-butyl-4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2,6-ditert-butyl-4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)phenolate; 2-hydroxyethyl(trimethyl)ammonium Formula: C21H35N3O2S2 MolecularWeight: 425.6515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=NNC(=S)S2.C[N+](C)(C)CCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=NNC(=S)S2.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/h7-8,19H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1/p-1