1-(azepan-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]propan-1-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3OS/c1-14(17(22)21-11-7-2-3-8-12-21)23-18-19-13-16(20-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H,19,20)