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

Systemtic Name: N-methyl-N-prop-2-enyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Openeye Name: N-allyl-N-methyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine CAS Name: N-methyl-N-prop-2-enyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-4-pentyn-1-amine IUPAC Name: N-methyl-N-prop-2-enyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Traditional Name: allyl-methyl-[5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-ynyl]amine Formula: C23H21F3N2S MolecularWeight: 414.48645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N2S/c1-3-14-28(2)15-6-4-5-7-17-8-13-20-21(16-17)29-27-22(20)18-9-11-19(12-10-18)23(24,25)26/h3,8-13,16H,1,4,6,14-15H2,2H3