(2-chloranyl-5-methylsulfanyl-6-thiocyanato-pyrimidin-4-yl) thiocyanate

Systemtic Name: (2-chloranyl-5-methylsulfanyl-6-thiocyanato-pyrimidin-4-yl) thiocyanate Openeye Name: (2-chloro-5-methylsulfanyl-6-thiocyanato-pyrimidin-4-yl) thiocyanate CAS Name: thiocyanic acid [2-chloro-5-(methylthio)-6-thiocyanato-4-pyrimidinyl] ester IUPAC Name: (2-chloro-5-methylsulfanyl-6-thiocyanatopyrimidin-4-yl) thiocyanate Traditional Name: thiocyanic acid [2-chloro-5-(methylthio)-6-thiocyanato-pyrimidin-4-yl] ester Formula: C7H3ClN4S3 MolecularWeight: 274.77352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N=C(N=C1SC#N)Cl)SC#N

Isomeric SMILES

CSC1=C(N=C(N=C1SC#N)Cl)SC#N

InChI

InChI=1S/C7H3ClN4S3/c1-13-4-5(14-2-9)11-7(8)12-6(4)15-3-10/h1H3