3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(2-chloro-6-fluorophenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(2-chloro-6-fluoro-benzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C14H13ClFN3OS MolecularWeight: 325.788923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(N2CCC#N)CO)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(N2CCC#N)CO)F

InChI

InChI=1S/C14H13ClFN3OS/c15-12-3-1-4-13(16)11(12)9-21-14-18-7-10(8-20)19(14)6-2-5-17/h1,3-4,7,20H,2,6,8-9H2