2-[2-(4-methylphenyl)ethynyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[2-(4-methylphenyl)ethynyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 3-prop-2-ynyl-2-[2-(p-tolyl)ethynyl]-1,3-benzothiazol-3-ium CAS Name: 2-[2-(4-methylphenyl)ethynyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[2-(4-methylphenyl)ethynyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 3-propargyl-2-[2-(p-tolyl)ethynyl]-1,3-benzothiazol-3-ium Formula: C19H14NS+ MolecularWeight: 288.38616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=[N+](C3=CC=CC=C3S2)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=[N+](C3=CC=CC=C3S2)CC#C

InChI

InChI=1S/C19H14NS/c1-3-14-20-17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(2)9-11-16/h1,4-11H,14H2,2H3/q+1