7-tert-butyl-N-phenylsulfanyl-pyren-1-amine

Systemtic Name: 7-tert-butyl-N-phenylsulfanyl-pyren-1-amine Openeye Name: 7-tert-butyl-N-phenylsulfanyl-pyren-1-amine CAS Name: N-(7-tert-butyl-1-pyrenyl)benzenesulfenamide IUPAC Name: 7-tert-butyl-N-phenylsulfanylpyren-1-amine Traditional Name: (7-tert-butylpyren-1-yl)-(phenylthio)amine Formula: C26H23NS MolecularWeight: 381.53252

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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=CC=C5)C=C2

Isomeric SMILES

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)NSC5=CC=CC=C5)C=C2

InChI

InChI=1S/C26H23NS/c1-26(2,3)20-15-18-10-9-17-12-14-23(27-28-21-7-5-4-6-8-21)22-13-11-19(16-20)24(18)25(17)22/h4-16,27H,1-3H3