5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-pent-4-yn-1-amine

Systemtic Name: 5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-pent-4-yn-1-amine Openeye Name: 5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-pent-4-yn-1-amine CAS Name: 5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-4-pentyn-1-amine IUPAC Name: 5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethylpent-4-yn-1-amine Traditional Name: 5-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-dimethyl-amine Formula: C20H19ClN2S MolecularWeight: 354.89626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2S/c1-23(2)13-5-3-4-6-15-7-12-18-19(14-15)24-22-20(18)16-8-10-17(21)11-9-16/h7-12,14H,3,5,13H2,1-2H3