2-[[2-[1-(2,3-dimethylphenoxy)propyl]-4,5-dihydroimidazol-1-yl]sulfanyl]-2-methyl-propanenitrile

Systemtic Name: 2-[[2-[1-(2,3-dimethylphenoxy)propyl]-4,5-dihydroimidazol-1-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: 2-[[2-[1-(2,3-dimethylphenoxy)propyl]-4,5-dihydroimidazol-1-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: 2-[[2-[1-(2,3-dimethylphenoxy)propyl]-4,5-dihydroimidazol-1-yl]thio]-2-methylpropanenitrile IUPAC Name: 2-[[2-[1-(2,3-dimethylphenoxy)propyl]-4,5-dihydroimidazol-1-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: 2-[[2-[1-(2,3-dimethylphenoxy)propyl]-2-imidazolin-1-yl]thio]-2-methyl-propionitrile Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NCCN1SC(C)(C)C#N)OC2=CC=CC(=C2C)C

Isomeric SMILES

CCC(C1=NCCN1SC(C)(C)C#N)OC2=CC=CC(=C2C)C

InChI

InChI=1S/C18H25N3OS/c1-6-15(22-16-9-7-8-13(2)14(16)3)17-20-10-11-21(17)23-18(4,5)12-19/h7-9,15H,6,10-11H2,1-5H3