4-[2-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[2-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[2-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylic acid CAS Name: 4-[2-[3-(methylthio)phenyl]-1,7-naphthyridin-6-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[2-[3-(methylthio)phenyl]-1,7-naphthyridin-6-yl]cyclohexanecarboxylic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2=NC3=CN=C(C=C3C=C2)C4CCC(CC4)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)C2=NC3=CN=C(C=C3C=C2)C4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H22N2O2S/c1-27-18-4-2-3-16(11-18)19-10-9-17-12-20(23-13-21(17)24-19)14-5-7-15(8-6-14)22(25)26/h2-4,9-15H,5-8H2,1H3,(H,25,26)