(2-ethylsulfanyl-6-phenyl-pyrimidin-4-yl) thiocyanate

Systemtic Name: (2-ethylsulfanyl-6-phenyl-pyrimidin-4-yl) thiocyanate Openeye Name: (2-ethylsulfanyl-6-phenyl-pyrimidin-4-yl) thiocyanate CAS Name: thiocyanic acid [2-(ethylthio)-6-phenyl-4-pyrimidinyl] ester IUPAC Name: (2-ethylsulfanyl-6-phenylpyrimidin-4-yl) thiocyanate Traditional Name: thiocyanic acid [2-(ethylthio)-6-phenyl-pyrimidin-4-yl] ester Formula: C13H11N3S2 MolecularWeight: 273.37654

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC(=N1)SC#N)C2=CC=CC=C2

Isomeric SMILES

CCSC1=NC(=CC(=N1)SC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3S2/c1-2-17-13-15-11(8-12(16-13)18-9-14)10-6-4-3-5-7-10/h3-8H,2H2,1H3