3-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]azepan-2-one Formula: C17H20F3N3OS MolecularWeight: 371.42041

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SC3CCCCNC3=O

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C17H20F3N3OS/c1-2-9-23-13-10-11(17(18,19)20)6-7-12(13)22-16(23)25-14-5-3-4-8-21-15(14)24/h6-7,10,14H,2-5,8-9H2,1H3,(H,21,24)