(5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) thiocyanate

Systemtic Name: (5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) thiocyanate Openeye Name: (5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) thiocyanate CAS Name: thiocyanic acid (5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) ester IUPAC Name: (5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-methoxy-2-methyl-3-thiocyanato-1H-indol-4-yl) ester Formula: C12H9N3OS2 MolecularWeight: 275.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2SC#N)OC)SC#N

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2SC#N)OC)SC#N

InChI

InChI=1S/C12H9N3OS2/c1-7-11(17-5-13)10-8(15-7)3-4-9(16-2)12(10)18-6-14/h3-4,15H,1-2H3