[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-(benzenesulfonamido)-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-(benzenesulfonamido)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(benzenesulfonamido)-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-(benzenesulfonamido)-1,3-benzothiazol-6-yl] ester Formula: C14H9N3O2S3 MolecularWeight: 347.43516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

InChI

InChI=1S/C14H9N3O2S3/c15-9-20-10-6-7-12-13(8-10)21-14(16-12)17-22(18,19)11-4-2-1-3-5-11/h1-8H,(H,16,17)