7-tert-butyl-1-[(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-$l^{2}-azanyl]pyrene

Systemtic Name: 7-tert-butyl-1-[(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-$l^{2}-azanyl]pyrene Openeye Name: 7-tert-butyl-1-[(2,3,5,6-tetradeuterio-4-nitro-phenyl)sulfanyl-$l^{2}-azanyl]pyrene CAS Name: 7-tert-butyl-1-[[(2,3,5,6-tetradeuterio-4-nitrophenyl)thio]-$l^{2}-azanyl]pyrene IUPAC Name: 7-tert-butyl-1-[(2,3,5,6-tetradeuterio-4-nitrophenyl)sulfanyl-$l^{2}-azanyl]pyrene Traditional Name: 7-tert-butyl-1-[[(2,3,5,6-tetradeuterio-4-nitro-phenyl)thio]-$l^{2}-azanyl]pyrene Formula: C26H21N2O2S MolecularWeight: 429.546787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)[N]SC5=CC=C(C=C5)[N+](=O)[O-])C=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H21N2O2S/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/h4-15H,1-3H3/i8D,9D,10D,11D