6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole

Systemtic Name: 6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole Openeye Name: 6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole CAS Name: 6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole IUPAC Name: 6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole Traditional Name: 6-ethynyl-2-(3-ethynylphenyl)-1,3-benzothiazole Formula: C17H9NS MolecularWeight: 259.32506

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=NC3=C(S2)C=C(C=C3)C#C

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=NC3=C(S2)C=C(C=C3)C#C

InChI

InChI=1S/C17H9NS/c1-3-12-6-5-7-14(10-12)17-18-15-9-8-13(4-2)11-16(15)19-17/h1-2,5-11H