2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethyl-amino]ethanol

Systemtic Name: 2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethyl-amino]ethanol Openeye Name: 2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethyl-amino]ethanol CAS Name: 2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethylamino]ethanol IUPAC Name: 2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethylamino]ethanol Traditional Name: 2-[4-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-ethyl-amino]ethanol Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl)CCO

Isomeric SMILES

CCN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl)CCO

InChI

InChI=1S/C21H21ClN2OS/c1-2-24(13-14-25)12-4-3-5-16-6-11-19-20(15-16)26-23-21(19)17-7-9-18(22)10-8-17/h6-11,15,25H,2,4,12-14H2,1H3