2-tert-butyl-N-(4-nitrophenyl)sulfanyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)aniline

Systemtic Name: 2-tert-butyl-N-(4-nitrophenyl)sulfanyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)aniline Openeye Name: 2-tert-butyl-N-(4-nitrophenyl)sulfanyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)aniline CAS Name: N-[2-tert-butyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-nitrobenzenesulfenamide IUPAC Name: 2-tert-butyl-N-(4-nitrophenyl)sulfanyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)aniline Traditional Name: [2-tert-butyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[(4-nitrophenyl)thio]amine Formula: C28H26N2O2S MolecularWeight: 464.644858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1NSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC(=C(C(=C2)C(C)(C)C)NSC3=CC=C(C=C3)[N+](=O)[O-])C4=C(C(=C(C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H]

InChI

InChI=1S/C28H26N2O2S/c1-28(2,3)26-19-22(20-10-6-4-7-11-20)18-25(21-12-8-5-9-13-21)27(26)29-33-24-16-14-23(15-17-24)30(31)32/h4-19,29H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D