3-(cyanomethylsulfanyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-(cyanomethylsulfanyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-5-[(4-fluorophenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3-(cyanomethylthio)-5-[(4-fluorophenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-5-[(4-fluorobenzyl)thio]isothiazole-4-carbonitrile Formula: C13H8FN3S3 MolecularWeight: 321.416123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC#N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC#N)C#N)F

InChI

InChI=1S/C13H8FN3S3/c14-10-3-1-9(2-4-10)8-19-13-11(7-16)12(17-20-13)18-6-5-15/h1-4H,6,8H2