3-[1-ethyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-ethyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-ethyl-5-(p-tolyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-ethyl-5-(4-methylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-ethyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-ethyl-5-(p-tolyl)imidazol-2-yl]thio]azepan-2-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=CN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H23N3OS/c1-3-21-15(14-9-7-13(2)8-10-14)12-20-18(21)23-16-6-4-5-11-19-17(16)22/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)