2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethyl-amino]ethanol

Systemtic Name: 2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethyl-amino]ethanol Openeye Name: 2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethyl-amino]ethanol CAS Name: 2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethylamino]ethanol IUPAC Name: 2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethylamino]ethanol Traditional Name: 2-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-ethyl-amino]ethanol Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCO

Isomeric SMILES

CCN(CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCO

InChI

InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3