3-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]azepan-2-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N3O2S/c24-19-18(10-4-5-11-21-19)26-20-22-13-17(15-7-2-1-3-8-15)23(20)14-16-9-6-12-25-16/h1-3,7-8,13,16,18H,4-6,9-12,14H2,(H,21,24)