(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate

Systemtic Name: (2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate Openeye Name: (2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate CAS Name: thiocyanic acid (2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate Traditional Name: thiocyanic acid (2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl) ester Formula: C13H14N2OS2 MolecularWeight: 278.39306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)SC#N)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)SC#N)OC

InChI

InChI=1S/C13H14N2OS2/c1-13(2,3)12-15-8-5-9(16-4)11(17-7-14)6-10(8)18-12/h5-6H,1-4H3