2-[3-azanyl-4-oxidanyl-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chloranyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-azanyl-4-oxidanyl-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chloranyl-pyridine-3-carbonitrile Openeye Name: 2-(3-amino-4-hydroxy-1-thiazol-5-yl-butyl)sulfanyl-5-chloro-pyridine-3-carbonitrile CAS Name: 2-[[3-amino-4-hydroxy-1-(5-thiazolyl)butyl]thio]-5-chloro-3-pyridinecarbonitrile IUPAC Name: 2-[3-amino-4-hydroxy-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chloropyridine-3-carbonitrile Traditional Name: 2-[(3-amino-4-hydroxy-1-thiazol-5-yl-butyl)thio]-5-chloro-nicotinonitrile Formula: C13H13ClN4OS2 MolecularWeight: 340.85152

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC=C1Cl)SC(CC(CO)N)C2=CN=CS2)C#N

Isomeric SMILES

C1=C(C(=NC=C1Cl)SC(CC(CO)N)C2=CN=CS2)C#N

InChI

InChI=1S/C13H13ClN4OS2/c14-9-1-8(3-15)13(18-4-9)21-11(2-10(16)6-19)12-5-17-7-20-12/h1,4-5,7,10-11,19H,2,6,16H2