2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole Openeye Name: 2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole CAS Name: 2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole Traditional Name: 2-[4-(2-phenylethynyl)phenyl]-1,3-benzothiazole Formula: C21H13NS MolecularWeight: 311.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13NS/c1-2-6-16(7-3-1)10-11-17-12-14-18(15-13-17)21-22-19-8-4-5-9-20(19)23-21/h1-9,12-15H