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

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(3,4-dimethylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(3,4-dimethylphenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(3,4-dimethylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(3,4-dimethylbenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NC=C(N2CCC#N)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NC=C(N2CCC#N)CO)C

InChI

InChI=1S/C16H19N3OS/c1-12-4-5-14(8-13(12)2)11-21-16-18-9-15(10-20)19(16)7-3-6-17/h4-5,8-9,20H,3,7,10-11H2,1-2H3