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

Systemtic Name: 3,5-bis[(3-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[(3-fluorophenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[(3-fluorophenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(3-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[(3-fluorobenzyl)thio]isothiazole-4-carbonitrile Formula: C18H12F2N2S3 MolecularWeight: 390.493086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSC2=C(C(=NS2)SCC3=CC(=CC=C3)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=C(C(=NS2)SCC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C18H12F2N2S3/c19-14-5-1-3-12(7-14)10-23-17-16(9-21)18(25-22-17)24-11-13-4-2-6-15(20)8-13/h1-8H,10-11H2