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

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile CAS Name: 3-[2-[(4-tert-butylphenyl)methylthio]-5-(hydroxymethyl)-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(4-tert-butylbenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3OS/c1-18(2,3)15-7-5-14(6-8-15)13-23-17-20-11-16(12-22)21(17)10-4-9-19/h5-8,11,22H,4,10,12-13H2,1-3H3