3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(4-bromophenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(4-bromobenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C14H14BrN3OS MolecularWeight: 352.24946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3OS/c15-12-4-2-11(3-5-12)10-20-14-17-8-13(9-19)18(14)7-1-6-16/h2-5,8,19H,1,7,9-10H2