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

Systemtic Name: 2-[4-azanyl-1-(1,2-oxazol-5-yl)butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(4-amino-1-isoxazol-5-yl-butyl)sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[4-amino-1-(5-isoxazolyl)butyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-amino-1-(1,2-oxazol-5-yl)butyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[(4-amino-1-isoxazol-5-yl-butyl)thio]-6-methyl-nicotinonitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(CCCN)C2=CC=NO2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(CCCN)C2=CC=NO2

InChI

InChI=1S/C14H16N4OS/c1-10-4-5-11(9-16)14(18-10)20-13(3-2-7-15)12-6-8-17-19-12/h4-6,8,13H,2-3,7,15H2,1H3