N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynyl-aniline bromide

Systemtic Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynyl-aniline bromide Openeye Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)vinyl]-N-prop-2-ynyl-aniline bromide CAS Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynylaniline bromide IUPAC Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynylaniline bromide Traditional Name: [(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)vinyl]-phenyl-propargyl-amine bromide Formula: C19H18BrN2S- MolecularWeight: 386.32862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)C=CN(CC#C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CN1C(SC2=CC=CC=C21)/C=C/N(CC#C)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18N2S.BrH/c1-3-14-21(16-9-5-4-6-10-16)15-13-19-20(2)17-11-7-8-12-18(17)22-19;/h1,4-13,15,19H,14H2,2H3;1H/p-1/b15-13+;