3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-5-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-5-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-5-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzyl)-5-nitro-1,3-benzothiazole-2-thione Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C3=C(C=CC(=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C3=C(C=CC(=C3)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C22H26N2O3S2/c1-21(2,3)15-9-13(10-16(19(15)25)22(4,5)6)12-23-17-11-14(24(26)27)7-8-18(17)29-20(23)28/h7-11,25H,12H2,1-6H3