2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-(azepan-1-yl)ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c18-21-12-15(14-8-4-3-5-9-14)19-17(21)23-13-16(22)20-10-6-1-2-7-11-20/h3-5,8-9,12H,1-2,6-7,10-11,13,18H2