2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-phenyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)SCC(=O)O

InChI

InChI=1S/C18H12N2O3S/c19-10-14-13(16-7-4-8-23-16)9-15(12-5-2-1-3-6-12)20-18(14)24-11-17(21)22/h1-9H,11H2,(H,21,22)