4-[4-azanyl-1-(1,2-oxazol-5-yl)butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile

Systemtic Name: 4-[4-azanyl-1-(1,2-oxazol-5-yl)butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile Openeye Name: 4-(4-amino-1-isoxazol-5-yl-butyl)sulfanyl-6-methoxy-pyridine-3-carbonitrile CAS Name: 4-[[4-amino-1-(5-isoxazolyl)butyl]thio]-6-methoxy-3-pyridinecarbonitrile IUPAC Name: 4-[4-amino-1-(1,2-oxazol-5-yl)butyl]sulfanyl-6-methoxypyridine-3-carbonitrile Traditional Name: 4-[(4-amino-1-isoxazol-5-yl-butyl)thio]-6-methoxy-nicotinonitrile Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=C1)SC(CCCN)C2=CC=NO2)C#N

Isomeric SMILES

COC1=NC=C(C(=C1)SC(CCCN)C2=CC=NO2)C#N

InChI

InChI=1S/C14H16N4O2S/c1-19-14-7-13(10(8-16)9-17-14)21-12(3-2-5-15)11-4-6-18-20-11/h4,6-7,9,12H,2-3,5,15H2,1H3