1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]propan-1-one Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3OS/c1-15-8-9-18(14-16(15)2)23-13-10-21-20(23)25-17(3)19(24)22-11-6-4-5-7-12-22/h8-10,13-14,17H,4-7,11-12H2,1-3H3