2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethanethiol

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethanethiol Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanethiol CAS Name: 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethanethiol IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanethiol Traditional Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanethiol Formula: C13H16NS2+ MolecularWeight: 250.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCS

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCS

InChI

InChI=1S/C13H15NS2/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3/p+1