(2R)-2-[(3-cyanophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: (2R)-2-[(3-cyanophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: (2R)-2-[(3-cyanophenyl)methylsulfanyl]-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2R)-2-[(3-cyanophenyl)methylthio]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: (2R)-2-[(3-cyanophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: (2R)-2-[(3-cyanobenzyl)thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC[C@H](C(=O)NC1=NOC(=C1)C)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H17N3O2S/c1-3-14(16(20)18-15-7-11(2)21-19-15)22-10-13-6-4-5-12(8-13)9-17/h4-8,14H,3,10H2,1-2H3,(H,18,19,20)/t14-/m1/s1