S-(3-azanylpropyl) 5-butylpyridine-2-carbothioate

Systemtic Name: S-(3-azanylpropyl) 5-butylpyridine-2-carbothioate Openeye Name: S-(3-aminopropyl) 5-butylpyridine-2-carbothioate CAS Name: 5-butyl-2-pyridinecarbothioic acid S-(3-aminopropyl) ester IUPAC Name: S-(3-aminopropyl) 5-butylpyridine-2-carbothioate Traditional Name: 5-butylpyridine-2-carbothioic acid S-(3-aminopropyl) ester Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)SCCCN

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)SCCCN

InChI

InChI=1S/C13H20N2OS/c1-2-3-5-11-6-7-12(15-10-11)13(16)17-9-4-8-14/h6-7,10H,2-5,8-9,14H2,1H3