N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=N3

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=N3

InChI

InChI=1S/C16H15N3OS2/c1-2-15(20)18-11-6-7-13-14(9-11)22-16(19-13)21-10-12-5-3-4-8-17-12/h3-9H,2,10H2,1H3,(H,18,20)