3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)-1,3-thiazolidin-3-ium-4-one

Systemtic Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)-1,3-thiazolidin-3-ium-4-one Openeye Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(2H-tetrazol-5-ylmethyl)thiazolidin-3-ium-4-one CAS Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(2H-tetrazol-5-ylmethyl)-4-thiazolidin-3-iumone IUPAC Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(2H-tetrazol-5-ylmethyl)-1,3-thiazolidin-3-ium-4-one Traditional Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(2H-tetrazol-5-ylmethyl)thiazolidin-3-ium-4-one Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C(=O)[N+](C(=C)S1)(CC2=NNN=N2)C(C)(C)C)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)C1(C(=O)[N+](C(=C)S1)(CC2=NNN=N2)C(C)(C)C)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H27N5O2S/c1-13-25(19(5,6)7,12-16-21-23-24-22-16)17(27)20(28-13,18(2,3)4)14-8-10-15(26)11-9-14/h8-11H,1,12H2,2-7H3,(H-,21,22,23,24,26)/p+1