1,3-benzothiazol-2-yl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate

Systemtic Name: 1,3-benzothiazol-2-yl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate Openeye Name: 1,3-benzothiazol-2-yl (E)-N-(p-tolylsulfonyl)benzenecarboximidothioate CAS Name: (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate Traditional Name: (E)-N-tosylbenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester Formula: C21H16N2O2S3 MolecularWeight: 424.55894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O2S3/c1-15-11-13-17(14-12-15)28(24,25)23-20(16-7-3-2-4-8-16)27-21-22-18-9-5-6-10-19(18)26-21/h2-14H,1H3/b23-20+