3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenol

Systemtic Name: 3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenol Openeye Name: 3-[(E)-2-(7-butylsulfanyl-2-quinolyl)vinyl]phenol CAS Name: 3-[(E)-2-[7-(butylthio)-2-quinolinyl]ethenyl]phenol IUPAC Name: 3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenol Traditional Name: 3-[(E)-2-[7-(butylthio)-2-quinolyl]vinyl]phenol Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)C=CC(=N2)C=CC3=CC(=CC=C3)O

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)O

InChI

InChI=1S/C21H21NOS/c1-2-3-13-24-20-12-9-17-8-11-18(22-21(17)15-20)10-7-16-5-4-6-19(23)14-16/h4-12,14-15,23H,2-3,13H2,1H3/b10-7+