2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,6-ditert-butyl-phenol

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,6-ditert-butyl-phenol Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,6-ditert-butyl-phenol CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4,6-ditert-butylphenol IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,6-ditert-butylphenol Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4,6-ditert-butyl-phenol Formula: C22H27NOS2 MolecularWeight: 385.58588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27NOS2/c1-21(2,3)15-11-14(19(24)16(12-15)22(4,5)6)13-25-20-23-17-9-7-8-10-18(17)26-20/h7-12,24H,13H2,1-6H3