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

Systemtic Name: 2-[3-azanyl-4-oxidanyl-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chloranyl-benzenecarbonitrile Openeye Name: 2-(3-amino-4-hydroxy-1-thiazol-5-yl-butyl)sulfanyl-5-chloro-benzonitrile CAS Name: 2-[[3-amino-4-hydroxy-1-(5-thiazolyl)butyl]thio]-5-chlorobenzonitrile IUPAC Name: 2-[3-amino-4-hydroxy-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chlorobenzonitrile Traditional Name: 2-[(3-amino-4-hydroxy-1-thiazol-5-yl-butyl)thio]-5-chloro-benzonitrile Formula: C14H14ClN3OS2 MolecularWeight: 339.86346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3OS2/c15-10-1-2-12(9(3-10)5-16)21-13(4-11(17)7-19)14-6-18-8-20-14/h1-3,6,8,11,13,19H,4,7,17H2