3-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]azepan-2-one Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SC3CCCCNC3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SC3CCCCNC3=O)C

InChI

InChI=1S/C17H21N3OS/c1-12-9-13(2)11-14(10-12)20-8-7-19-17(20)22-15-5-3-4-6-18-16(15)21/h7-11,15H,3-6H2,1-2H3,(H,18,21)