2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]ethanethiolate

Systemtic Name: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]ethanethiolate Openeye Name: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-thiazol-3-ium-3-yl]ethanethiolate CAS Name: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-3-thiazol-3-iumyl]ethanethiolate IUPAC Name: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]ethanethiolate Traditional Name: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,5-diphenyl-thiazol-3-ium-3-yl]ethanethiolate Formula: C27H24N2S3 MolecularWeight: 472.68786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC[S-]

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC[S-]

InChI

InChI=1S/C27H24N2S3/c1-2-28-22-15-9-10-16-23(22)31-24(28)19-25-29(17-18-30)26(20-11-5-3-6-12-20)27(32-25)21-13-7-4-8-14-21/h3-16,19H,2,17-18H2,1H3