2-(3-oxidanylpropoxy)pyridine-3-carbothioamide

Systemtic Name: 2-(3-oxidanylpropoxy)pyridine-3-carbothioamide Openeye Name: 2-(3-hydroxypropoxy)pyridine-3-carbothioamide CAS Name: 2-(3-hydroxypropoxy)-3-pyridinecarbothioamide IUPAC Name: 2-(3-hydroxypropoxy)pyridine-3-carbothioamide Traditional Name: 2-(3-hydroxypropoxy)thionicotinamide Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)OCCCO)C(=S)N

Isomeric SMILES

C1=CC(=C(N=C1)OCCCO)C(=S)N

InChI

InChI=1S/C9H12N2O2S/c10-8(14)7-3-1-4-11-9(7)13-6-2-5-12/h1,3-4,12H,2,5-6H2,(H2,10,14)