2-(3-oxidanylpropoxy)pyridine-4-carbothioamide

Systemtic Name: 2-(3-oxidanylpropoxy)pyridine-4-carbothioamide Openeye Name: 2-(3-hydroxypropoxy)pyridine-4-carbothioamide CAS Name: 2-(3-hydroxypropoxy)-4-pyridinecarbothioamide IUPAC Name: 2-(3-hydroxypropoxy)pyridine-4-carbothioamide Traditional Name: 2-(3-hydroxypropoxy)thioisonicotinamide Formula: C9H12N2O2S MolecularWeight: 212.26878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=S)N)OCCCO

Isomeric SMILES

C1=CN=C(C=C1C(=S)N)OCCCO

InChI

InChI=1S/C9H12N2O2S/c10-9(14)7-2-3-11-8(6-7)13-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,10,14)