2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-1,3-thiazol-3-ium-3-yl]ethanethiol

Systemtic Name: 2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-1,3-thiazol-3-ium-3-yl]ethanethiol Openeye Name: 2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-thiazol-3-ium-3-yl]ethanethiol CAS Name: 2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-3-thiazol-3-iumyl]ethanethiol IUPAC Name: 2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-1,3-thiazol-3-ium-3-yl]ethanethiol Traditional Name: 2-[2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-thiazol-3-ium-3-yl]ethanethiol Formula: C16H19N2S3+ MolecularWeight: 335.53046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C=C(S3)C)CCS

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=[N+](C=C(S3)C)CCS

InChI

InChI=1S/C16H18N2S3/c1-3-18-13-6-4-5-7-14(13)21-16(18)10-15-17(8-9-19)11-12(2)20-15/h4-7,10-11H,3,8-9H2,1-2H3/p+1