1-(4-fluorophenyl)carbonyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C16H17FN4O2S MolecularWeight: 348.395183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=NN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4O2S/c1-20-10-18-19-16(20)24-13-4-2-3-9-21(15(13)23)14(22)11-5-7-12(17)8-6-11/h5-8,10,13H,2-4,9H2,1H3