2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-6-nitro-1,3-benzothiazole Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C20H22N2O2S2/c1-12-8-14(20(3,4)5)9-13(2)16(12)11-25-19-21-17-7-6-15(22(23)24)10-18(17)26-19/h6-10H,11H2,1-5H3