5-(phenylmethyl)pyridine-2-carbothioic S-acid

Systemtic Name: 5-(phenylmethyl)pyridine-2-carbothioic S-acid Openeye Name: 5-benzylpyridine-2-carbothioic S-acid CAS Name: 5-(phenylmethyl)-2-pyridinecarbothioic S-acid IUPAC Name: 5-benzylpyridine-2-carbothioic S-acid Traditional Name: 5-benzylthiopicolinic acid Formula: C13H11NOS MolecularWeight: 229.29754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NOS/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)