3-(4-azanyl-2-fluoranyl-phenyl)sulfanylazepan-2-one

Systemtic Name: 3-(4-azanyl-2-fluoranyl-phenyl)sulfanylazepan-2-one Openeye Name: 3-(4-amino-2-fluoro-phenyl)sulfanylazepan-2-one CAS Name: 3-[(4-amino-2-fluorophenyl)thio]-2-azepanone IUPAC Name: 3-(4-amino-2-fluorophenyl)sulfanylazepan-2-one Traditional Name: 3-[(4-amino-2-fluoro-phenyl)thio]azepan-2-one Formula: C12H15FN2OS MolecularWeight: 254.323703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=C(C=C(C=C2)N)F

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=C(C=C(C=C2)N)F

InChI

InChI=1S/C12H15FN2OS/c13-9-7-8(14)4-5-10(9)17-11-3-1-2-6-15-12(11)16/h4-5,7,11H,1-3,6,14H2,(H,15,16)