2-[4-(pyridin-3-ylmethyl)phenyl]ethanethioic S-acid

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)phenyl]ethanethioic S-acid Openeye Name: 2-[4-(3-pyridylmethyl)phenyl]ethanethioic S-acid CAS Name: 2-[4-(3-pyridinylmethyl)phenyl]ethanethioic S-acid IUPAC Name: 2-[4-(pyridin-3-ylmethyl)phenyl]ethanethioic S-acid Traditional Name: 2-[4-(3-pyridylmethyl)phenyl]thioacetic acid Formula: C14H13NOS MolecularWeight: 243.32412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC=C(C=C2)CC(=O)S

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC=C(C=C2)CC(=O)S

InChI

InChI=1S/C14H13NOS/c16-14(17)9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h1-7,10H,8-9H2,(H,16,17)