2-[4-[(3-butyl-4-sulfanylidene-quinolin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-4-sulfanylidene-quinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-4-thioxo-1-quinolyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-4-sulfanylidene-1-quinolinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-4-sulfanylidenequinolin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-4-thioxo-1-quinolyl)methyl]phenyl]benzoic acid Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=CC=CC=C2C1=S)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=CC=CC=C2C1=S)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H25NO2S/c1-2-3-8-21-18-28(25-12-7-6-11-24(25)26(21)31)17-19-13-15-20(16-14-19)22-9-4-5-10-23(22)27(29)30/h4-7,9-16,18H,2-3,8,17H2,1H3,(H,29,30)