5-octylpyridine-2-carbothioic S-acid

Systemtic Name: 5-octylpyridine-2-carbothioic S-acid Openeye Name: 5-octylpyridine-2-carbothioic S-acid CAS Name: 5-octyl-2-pyridinecarbothioic S-acid IUPAC Name: 5-octylpyridine-2-carbothioic S-acid Traditional Name: 5-octylthiopicolinic acid Formula: C14H21NOS MolecularWeight: 251.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C(=O)S

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C(=O)S

InChI

InChI=1S/C14H21NOS/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15-11-12/h9-11H,2-8H2,1H3,(H,16,17)