2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H18N2O4S/c1-27-16-7-3-14(4-8-16)18-11-20(15-5-9-17(28-2)10-6-15)24-22(19(18)12-23)29-13-21(25)26/h3-11H,13H2,1-2H3,(H,25,26)