2-[1-(dimethylamino)-5-[2-oxidanyl-4-(2-propylpentylsulfinyl)phenyl]-4-sulfanylidene-pyridin-3-yl]benzoic acid

Systemtic Name: 2-[1-(dimethylamino)-5-[2-oxidanyl-4-(2-propylpentylsulfinyl)phenyl]-4-sulfanylidene-pyridin-3-yl]benzoic acid Openeye Name: 2-[1-(dimethylamino)-5-[2-hydroxy-4-(2-propylpentylsulfinyl)phenyl]-4-thioxo-3-pyridyl]benzoic acid CAS Name: 2-[1-(dimethylamino)-5-[2-hydroxy-4-(2-propylpentylsulfinyl)phenyl]-4-sulfanylidene-3-pyridinyl]benzoic acid IUPAC Name: 2-[1-(dimethylamino)-5-[2-hydroxy-4-(2-propylpentylsulfinyl)phenyl]-4-sulfanylidenepyridin-3-yl]benzoic acid Traditional Name: 2-[1-(dimethylamino)-5-[2-hydroxy-4-(2-propylpentylsulfinyl)phenyl]-4-thioxo-3-pyridyl]benzoic acid Formula: C28H34N2O4S2 MolecularWeight: 526.71056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CS(=O)C1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC=CC=C3C(=O)O)N(C)C)O

Isomeric SMILES

CCCC(CCC)CS(=O)C1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC=CC=C3C(=O)O)N(C)C)O

InChI

InChI=1S/C28H34N2O4S2/c1-5-9-19(10-6-2)18-36(34)20-13-14-22(26(31)15-20)25-17-30(29(3)4)16-24(27(25)35)21-11-7-8-12-23(21)28(32)33/h7-8,11-17,19,31H,5-6,9-10,18H2,1-4H3,(H,32,33)