N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide

Systemtic Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C19H17N3OS2 MolecularWeight: 367.48778

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H17N3OS2/c1-2-3-4-7-18(23)21-15-8-9-16-17(11-15)25-19(22-16)24-13-14-6-5-10-20-12-14/h1,5-6,8-12H,3-4,7,13H2,(H,21,23)