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

Systemtic Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynyl-2-prop-2-ynylsulfanyl-aniline bromide Openeye Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)vinyl]-N-prop-2-ynyl-2-prop-2-ynylsulfanyl-aniline bromide CAS Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynyl-2-(prop-2-ynylthio)aniline bromide IUPAC Name: N-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-prop-2-ynyl-2-prop-2-ynylsulfanylaniline bromide Traditional Name: [(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)vinyl]-propargyl-[2-(propargylthio)phenyl]amine bromide Formula: C22H20BrN2S2- MolecularWeight: 456.4416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)C=CN(CC#C)C3=CC=CC=C3SCC#C.[Br-]

Isomeric SMILES

CN1C(SC2=CC=CC=C21)/C=C/N(CC#C)C3=CC=CC=C3SCC#C.[Br-]

InChI

InChI=1S/C22H20N2S2.BrH/c1-4-15-24(19-11-7-8-12-20(19)25-17-5-2)16-14-22-23(3)18-10-6-9-13-21(18)26-22;/h1-2,6-14,16,22H,15,17H2,3H3;1H/p-1/b16-14+;