1-(azepan-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]ethanone Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3OS/c1-15-17(13-16-9-5-4-6-10-16)21-19(20-15)24-14-18(23)22-11-7-2-3-8-12-22/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,20,21)