ethyl 2-ethylsulfanyl-4-thiocyanato-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-ethylsulfanyl-4-thiocyanato-pyrimidine-5-carboxylate Openeye Name: ethyl 2-ethylsulfanyl-4-thiocyanato-pyrimidine-5-carboxylate CAS Name: 2-(ethylthio)-4-thiocyanato-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-4-thiocyanatopyrimidine-5-carboxylate Traditional Name: 2-(ethylthio)-4-thiocyanato-pyrimidine-5-carboxylic acid ethyl ester Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC#N)SCC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC#N)SCC

InChI

InChI=1S/C10H11N3O2S2/c1-3-15-9(14)7-5-12-10(16-4-2)13-8(7)17-6-11/h5H,3-4H2,1-2H3