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

Systemtic Name: (2-ethyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate Openeye Name: (2-ethyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate CAS Name: thiocyanic acid (2-ethyl-5-methoxy-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-ethyl-5-methoxy-1,3-benzothiazol-6-yl) thiocyanate Traditional Name: thiocyanic acid (2-ethyl-5-methoxy-1,3-benzothiazol-6-yl) ester Formula: C11H10N2OS2 MolecularWeight: 250.3399

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2S1)SC#N)OC

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2S1)SC#N)OC

InChI

InChI=1S/C11H10N2OS2/c1-3-11-13-7-4-8(14-2)10(15-6-12)5-9(7)16-11/h4-5H,3H2,1-2H3