4-ethynyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide

Systemtic Name: 4-ethynyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide Openeye Name: 4-ethynyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide CAS Name: 4-ethynyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide IUPAC Name: 4-ethynyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide Traditional Name: 4-ethynyl-N-(2-methylol-1,3-benzothiazol-5-yl)benzamide Formula: C17H12N2O2S MolecularWeight: 308.35438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

Isomeric SMILES

C#CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

InChI

InChI=1S/C17H12N2O2S/c1-2-11-3-5-12(6-4-11)17(21)18-13-7-8-15-14(9-13)19-16(10-20)22-15/h1,3-9,20H,10H2,(H,18,21)