2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-2-yl-butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-2-yl-butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-pyridyl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-pyridinyl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-2-ylbutanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-pyridyl)butyramide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H15N3O2S/c1-2-13(15(20)19-14-9-5-6-10-17-14)22-16-18-11-7-3-4-8-12(11)21-16/h3-10,13H,2H2,1H3,(H,17,19,20)