3-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]methyl]benzonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=CC(=C2)C#N)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=CC(=C2)C#N)CC3CCCO3)C

InChI

InChI=1S/C18H21N3OS/c1-13-14(2)21(11-17-7-4-8-22-17)18(20-13)23-12-16-6-3-5-15(9-16)10-19/h3,5-6,9,17H,4,7-8,11-12H2,1-2H3