2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-3-(p-tolyl)propanenitrile CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC(=C(N2CC3CCCO3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NC(=C(N2CC3CCCO3)C)C

InChI

InChI=1S/C20H25N3OS/c1-14-6-8-17(9-7-14)11-19(12-21)25-20-22-15(2)16(3)23(20)13-18-5-4-10-24-18/h6-9,18-19H,4-5,10-11,13H2,1-3H3