3-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(3,4-difluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(3,4-difluorophenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(3,4-difluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(3,4-difluorobenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C14H13F2N3OS MolecularWeight: 309.334326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=C(N2CCC#N)CO)F)F

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=C(N2CCC#N)CO)F)F

InChI

InChI=1S/C14H13F2N3OS/c15-12-3-2-10(6-13(12)16)9-21-14-18-7-11(8-20)19(14)5-1-4-17/h2-3,6-7,20H,1,5,8-9H2