[[3-methanethioyl-4-(2-sulfanylideneethyl)-2H-1,2,5-thiadiazol-5-yl]-thiocyanato-methyl] thiocyanate

Systemtic Name: [[3-methanethioyl-4-(2-sulfanylideneethyl)-2H-1,2,5-thiadiazol-5-yl]-thiocyanato-methyl] thiocyanate Openeye Name: [[3-methanethioyl-4-(2-thioxoethyl)-2H-1,2,5-thiadiazol-5-yl]-thiocyanato-methyl] thiocyanate CAS Name: thiocyanic acid [[3-methanethioyl-4-(2-sulfanylideneethyl)-2H-1,2,5-thiadiazol-5-yl]-thiocyanatomethyl] ester IUPAC Name: [[3-methanethioyl-4-(2-sulfanylideneethyl)-2H-1,2,5-thiadiazol-5-yl]-thiocyanatomethyl] thiocyanate Traditional Name: thiocyanic acid [thiocyanato-[3-thioformyl-4-(2-thioxoethyl)-2H-1,2,5-thiadiazol-5-yl]methyl] ester Formula: C8H6N4S5 MolecularWeight: 318.48504

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Descriptors Computed from Structure

Canonical SMILES:

C(C=S)C1=C(NSN1C(SC#N)SC#N)C=S

Isomeric SMILES

C(C=S)C1=C(NSN1C(SC#N)SC#N)C=S

InChI

InChI=1S/C8H6N4S5/c9-4-15-8(16-5-10)12-7(1-2-13)6(3-14)11-17-12/h2-3,8,11H,1H2