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

Systemtic Name: 3-cyano-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H14N4OS2 MolecularWeight: 402.49206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C#N

InChI

InChI=1S/C21H14N4OS2/c22-11-14-3-1-5-16(9-14)20(26)24-17-6-7-18-19(10-17)28-21(25-18)27-13-15-4-2-8-23-12-15/h1-10,12H,13H2,(H,24,26)