2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole Openeye Name: 2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole CAS Name: 2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole Traditional Name: 2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazole Formula: C21H13NOS MolecularWeight: 327.39902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C#CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C#CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13NOS/c1-2-6-17(7-3-1)23-18-13-10-16(11-14-18)12-15-21-22-19-8-4-5-9-20(19)24-21/h1-11,13-14H