1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-phenyl]ethanone CAS Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxyphenyl]ethanone IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxyphenyl]ethanone Traditional Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-phenyl]ethanone Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S2/c1-10(18)11-6-7-14(19)12(8-11)9-20-16-17-13-4-2-3-5-15(13)21-16/h2-8,19H,9H2,1H3