3-(1-phenylimidazol-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(1-phenylimidazol-2-yl)sulfanylazepan-2-one Openeye Name: 3-(1-phenylimidazol-2-yl)sulfanylazepan-2-one CAS Name: 3-[(1-phenyl-2-imidazolyl)thio]-2-azepanone IUPAC Name: 3-(1-phenylimidazol-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-phenylimidazol-2-yl)thio]azepan-2-one Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=CN2C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC=CN2C3=CC=CC=C3

InChI

InChI=1S/C15H17N3OS/c19-14-13(8-4-5-9-16-14)20-15-17-10-11-18(15)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,16,19)