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

Systemtic Name: 1-[(4-bromanyl-2,3,5,6-tetradeuterio-phenyl)sulfanyl-$l^{2}-azanyl]-7-tert-butyl-pyrene Openeye Name: 1-[(4-bromo-2,3,5,6-tetradeuterio-phenyl)sulfanyl-$l^{2}-azanyl]-7-tert-butyl-pyrene CAS Name: 1-[[(4-bromo-2,3,5,6-tetradeuteriophenyl)thio]-$l^{2}-azanyl]-7-tert-butylpyrene IUPAC Name: 1-[(4-bromo-2,3,5,6-tetradeuteriophenyl)sulfanyl-$l^{2}-azanyl]-7-tert-butylpyrene Traditional Name: 1-[[(4-bromo-2,3,5,6-tetradeuterio-phenyl)thio]-$l^{2}-azanyl]-7-tert-butyl-pyrene Formula: C26H21BrNS MolecularWeight: 463.445287

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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)Br)C=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1S[N]C2=C3C=CC4=C5C3=C(C=CC5=CC(=C4)C(C)(C)C)C=C2)[2H])[2H])Br)[2H]

InChI

InChI=1S/C26H21BrNS/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/h4-15H,1-3H3/i8D,9D,10D,11D