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

Systemtic Name: N-(4-bromanyl-2,3,5,6-tetradeuterio-phenyl)sulfanyl-7-tert-butyl-pyren-1-amine Openeye Name: N-(4-bromo-2,3,5,6-tetradeuterio-phenyl)sulfanyl-7-tert-butyl-pyren-1-amine CAS Name: 4-bromo-N-(7-tert-butyl-1-pyrenyl)-2,3,5,6-tetradeuteriobenzenesulfenamide IUPAC Name: N-(4-bromo-2,3,5,6-tetradeuteriophenyl)sulfanyl-7-tert-butylpyren-1-amine Traditional Name: [(4-bromo-2,3,5,6-tetradeuterio-phenyl)thio]-(7-tert-butylpyren-1-yl)amine Formula: C26H22BrNS MolecularWeight: 464.453227

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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)Br)C=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1SNC2=C3C=CC4=C5C3=C(C=CC5=CC(=C4)C(C)(C)C)C=C2)[2H])[2H])Br)[2H]

InChI

InChI=1S/C26H22BrNS/c1-26(2,3)19-14-17-5-4-16-7-13-23(28-29-21-10-8-20(27)9-11-21)22-12-6-18(15-19)24(17)25(16)22/h4-15,28H,1-3H3/i8D,9D,10D,11D