1-(azepan-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]ethanone Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H25N3OS/c1-15-11-16(2)13-17(12-15)22-10-7-20-19(22)24-14-18(23)21-8-5-3-4-6-9-21/h7,10-13H,3-6,8-9,14H2,1-2H3