5-tert-butyl-3-[(2-cyanophenyl)methylsulfanyl]-2-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-[(2-cyanophenyl)methylsulfanyl]-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-5-[(2-cyanophenyl)methylsulfanyl]-2-hydroxy-6-methyl-benzoic acid CAS Name: 3-tert-butyl-5-[(2-cyanophenyl)methylthio]-2-hydroxy-6-methylbenzoic acid IUPAC Name: 3-tert-butyl-5-[(2-cyanophenyl)methylsulfanyl]-2-hydroxy-6-methylbenzoic acid Traditional Name: 3-tert-butyl-5-[(2-cyanobenzyl)thio]-2-hydroxy-6-methyl-benzoic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H21NO3S/c1-12-16(25-11-14-8-6-5-7-13(14)10-21)9-15(20(2,3)4)18(22)17(12)19(23)24/h5-9,22H,11H2,1-4H3,(H,23,24)