4-(1,3-benzothiazol-2-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C24H19N3OS/c28-23(12-6-13-24-27-21-10-1-2-11-22(21)29-24)26-20-9-5-7-18(17-20)14-15-19-8-3-4-16-25-19/h1-5,7-11,16-17H,6,12-13H2,(H,26,28)