2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole

Systemtic Name: 2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole Openeye Name: 2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole CAS Name: 2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole IUPAC Name: 2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole Traditional Name: 2-butyl-3-methyl-2-non-1-ynyl-1,3-benzothiazole Formula: C21H31NS MolecularWeight: 329.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1(N(C2=CC=CC=C2S1)C)CCCC

Isomeric SMILES

CCCCCCCC#CC1(N(C2=CC=CC=C2S1)C)CCCC

InChI

InChI=1S/C21H31NS/c1-4-6-8-9-10-11-14-18-21(17-7-5-2)22(3)19-15-12-13-16-20(19)23-21/h12-13,15-16H,4-11,17H2,1-3H3