3-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[(1-o-cumenylimidazol-2-yl)thio]azepan-2-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C=CN=C2SC3CCCCNC3=O

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C=CN=C2SC3CCCCNC3=O

InChI

InChI=1S/C18H23N3OS/c1-13(2)14-7-3-4-8-15(14)21-12-11-20-18(21)23-16-9-5-6-10-19-17(16)22/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H,19,22)