(5S)-N'-(5-bromanyl-2-fluoranyl-phenyl)carbonyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-N'-(5-bromanyl-2-fluoranyl-phenyl)carbonyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-N'-(5-bromo-2-fluoro-benzoyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-N'-[(5-bromo-2-fluorophenyl)-oxomethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-N'-(5-bromo-2-fluorobenzoyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-(5-bromo-2-fluoro-benzoyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C17H16BrFN2O2S MolecularWeight: 411.288543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H16BrFN2O2S/c1-9-2-5-14-10(6-9)7-15(24-14)17(23)21-20-16(22)12-8-11(18)3-4-13(12)19/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H,21,23)/t9-/m0/s1