4-[3-[ethyl-[3-(4-hydroxyphenyl)sulfanylpropyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[ethyl-[3-(4-hydroxyphenyl)sulfanylpropyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[ethyl-[3-(4-hydroxyphenyl)sulfanylpropyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[ethyl-[3-[(4-hydroxyphenyl)thio]propyl]amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[ethyl-[3-(4-hydroxyphenyl)sulfanylpropyl]amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[ethyl-[3-[(4-hydroxyphenyl)thio]propyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSC1=CC=C(C=C1)O)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCN(CCCSC1=CC=C(C=C1)O)CC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H26N2O3S/c1-2-23(12-3-13-27-21-10-6-18(24)7-11-21)15-19(25)16-26-20-8-4-17(14-22)5-9-20/h4-11,19,24-25H,2-3,12-13,15-16H2,1H3