7-tert-butyl-N-(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-pyren-1-amine

Systemtic Name: 7-tert-butyl-N-(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-pyren-1-amine Openeye Name: 7-tert-butyl-N-(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-pyren-1-amine CAS Name: N-(7-tert-butyl-1-pyrenyl)-2,3,5,6-tetradeuterio-4-nitrobenzenesulfenamide IUPAC Name: 7-tert-butyl-N-(2,3,5,6-tetradeuterio-4-nitrophenyl)sulfanylpyren-1-amine Traditional Name: (7-tert-butylpyren-1-yl)-[(2,3,5,6-tetradeuterio-4-nitro-phenyl)thio]amine Formula: C26H22N2O2S MolecularWeight: 430.554727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)NSC5=CC=C(C=C5)[N+](=O)[O-])C=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])SNC2=C3C=CC4=C5C3=C(C=CC5=CC(=C4)C(C)(C)C)C=C2)[2H]

InChI

InChI=1S/C26H22N2O2S/c1-26(2,3)19-14-17-5-4-16-7-13-23(22-12-6-18(15-19)24(17)25(16)22)27-31-21-10-8-20(9-11-21)28(29)30/h4-15,27H,1-3H3/i8D,9D,10D,11D