4-[2-(4-hydroxyphenyl)-1-[(3-propyl-1,2-diazirin-3-yl)sulfanyl]pentan-3-yl]phenol

Systemtic Name: 4-[2-(4-hydroxyphenyl)-1-[(3-propyl-1,2-diazirin-3-yl)sulfanyl]pentan-3-yl]phenol Openeye Name: 4-[1-ethyl-2-(4-hydroxyphenyl)-3-(3-propyldiazirin-3-yl)sulfanyl-propyl]phenol CAS Name: 4-[2-(4-hydroxyphenyl)-1-[(3-propyl-3-diazirinyl)thio]pentan-3-yl]phenol IUPAC Name: 4-[2-(4-hydroxyphenyl)-1-(3-propyldiazirin-3-yl)sulfanylpentan-3-yl]phenol Traditional Name: 4-[1-ethyl-2-(4-hydroxyphenyl)-3-[(3-propyldiazirin-3-yl)thio]propyl]phenol Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(N=N1)SCC(C2=CC=C(C=C2)O)C(CC)C3=CC=C(C=C3)O

Isomeric SMILES

CCCC1(N=N1)SCC(C2=CC=C(C=C2)O)C(CC)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H26N2O2S/c1-3-13-21(22-23-21)26-14-20(16-7-11-18(25)12-8-16)19(4-2)15-5-9-17(24)10-6-15/h5-12,19-20,24-25H,3-4,13-14H2,1-2H3