2-octan-2-yloxypyridine-4-carbothioamide

Systemtic Name: 2-octan-2-yloxypyridine-4-carbothioamide Openeye Name: 2-(1-methylheptoxy)pyridine-4-carbothioamide CAS Name: 2-octan-2-yloxy-4-pyridinecarbothioamide IUPAC Name: 2-octan-2-yloxypyridine-4-carbothioamide Traditional Name: 2-(1-methylheptoxy)thioisonicotinamide Formula: C14H22N2OS MolecularWeight: 266.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=NC=CC(=C1)C(=S)N

Isomeric SMILES

CCCCCCC(C)OC1=NC=CC(=C1)C(=S)N

InChI

InChI=1S/C14H22N2OS/c1-3-4-5-6-7-11(2)17-13-10-12(14(15)18)8-9-16-13/h8-11H,3-7H2,1-2H3,(H2,15,18)