5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-pent-4-yn-1-amine

Systemtic Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-pent-4-yn-1-amine Openeye Name: N-allyl-5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-pent-4-yn-1-amine CAS Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-4-pentyn-1-amine IUPAC Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enylpent-4-yn-1-amine Traditional Name: allyl-[5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl]-methyl-amine Formula: C22H21BrN2S MolecularWeight: 425.38454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2S/c1-3-14-25(2)15-6-4-5-7-17-8-13-20-21(16-17)26-24-22(20)18-9-11-19(23)12-10-18/h3,8-13,16H,1,4,6,14-15H2,2H3