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

Systemtic Name: N-methyl-N-prop-2-enyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine Openeye Name: N-allyl-N-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine CAS Name: N-methyl-N-prop-2-enyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-3-butyn-1-amine IUPAC Name: N-methyl-N-prop-2-enyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine Traditional Name: allyl-methyl-[4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-ynyl]amine Formula: C22H19F3N2S MolecularWeight: 400.45987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2S/c1-3-13-27(2)14-5-4-6-16-7-12-19-20(15-16)28-26-21(19)17-8-10-18(11-9-17)22(23,24)25/h3,7-12,15H,1,5,13-14H2,2H3