(4-methyl-1,3-benzothiazol-2-yl) thiocyanate

Systemtic Name: (4-methyl-1,3-benzothiazol-2-yl) thiocyanate Openeye Name: (4-methyl-1,3-benzothiazol-2-yl) thiocyanate CAS Name: thiocyanic acid (4-methyl-1,3-benzothiazol-2-yl) ester IUPAC Name: (4-methyl-1,3-benzothiazol-2-yl) thiocyanate Traditional Name: thiocyanic acid (4-methyl-1,3-benzothiazol-2-yl) ester Formula: C9H6N2S2 MolecularWeight: 206.28734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SC#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)SC#N

InChI

InChI=1S/C9H6N2S2/c1-6-3-2-4-7-8(6)11-9(13-7)12-5-10/h2-4H,1H3