2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole

Systemtic Name: 2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole Openeye Name: 2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole CAS Name: 2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole IUPAC Name: 2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole Traditional Name: 2-butyl-3-methyl-2-(2-phenylethynyl)-1,3-benzothiazole Formula: C20H21NS MolecularWeight: 307.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N(C2=CC=CC=C2S1)C)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC1(N(C2=CC=CC=C2S1)C)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H21NS/c1-3-4-15-20(16-14-17-10-6-5-7-11-17)21(2)18-12-8-9-13-19(18)22-20/h5-13H,3-4,15H2,1-2H3