1-(azepan-1-yl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]ethanone Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C19H25N3O2S/c23-14-17-13-22(12-16-8-4-3-5-9-16)19(20-17)25-15-18(24)21-10-6-1-2-7-11-21/h3-5,8-9,13,23H,1-2,6-7,10-12,14-15H2