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

Systemtic Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(3-chlorophenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(3-chlorobenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3OS/c15-12-4-1-3-11(7-12)10-20-14-17-8-13(9-19)18(14)6-2-5-16/h1,3-4,7-8,19H,2,6,9-10H2