2-[4-(4-chlorophenyl)-3-cyano-6-cyclopropyl-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-cyclopropyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-cyclopropyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-cyclopropyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-cyclopropylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-cyclopropyl-2-pyridyl]thio]acetic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O

InChI

InChI=1S/C17H13ClN2O2S/c18-12-5-3-10(4-6-12)13-7-15(11-1-2-11)20-17(14(13)8-19)23-9-16(21)22/h3-7,11H,1-2,9H2,(H,21,22)