2-[4-(cyanomethyl)phenyl]sulfanyl-2-pyridin-3-yl-ethanoic acid

Systemtic Name: 2-[4-(cyanomethyl)phenyl]sulfanyl-2-pyridin-3-yl-ethanoic acid Openeye Name: 2-[4-(cyanomethyl)phenyl]sulfanyl-2-(3-pyridyl)acetic acid CAS Name: 2-[[4-(cyanomethyl)phenyl]thio]-2-(3-pyridinyl)acetic acid IUPAC Name: 2-[4-(cyanomethyl)phenyl]sulfanyl-2-pyridin-3-ylacetic acid Traditional Name: 2-[[4-(cyanomethyl)phenyl]thio]-2-(3-pyridyl)acetic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C(=O)O)SC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC(=CN=C1)C(C(=O)O)SC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H12N2O2S/c16-8-7-11-3-5-13(6-4-11)20-14(15(18)19)12-2-1-9-17-10-12/h1-6,9-10,14H,7H2,(H,18,19)