3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylazepan-2-one

Systemtic Name: 3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylazepan-2-one Openeye Name: 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylazepan-2-one CAS Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]-2-azepanone IUPAC Name: 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylazepan-2-one Traditional Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]azepan-2-one Formula: C13H15F3N2OS MolecularWeight: 304.33121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2OS/c14-13(15,16)8-4-5-10(9(17)7-8)20-11-3-1-2-6-18-12(11)19/h4-5,7,11H,1-3,6,17H2,(H,18,19)