(5S)-N'-(4-fluoranyl-3-nitro-phenyl)carbonyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-N'-(4-fluoranyl-3-nitro-phenyl)carbonyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-N'-(4-fluoro-3-nitro-benzoyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-N'-[(4-fluoro-3-nitrophenyl)-oxomethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-N'-(4-fluoro-3-nitrobenzoyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-(4-fluoro-3-nitro-benzoyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O4S/c1-9-2-5-14-11(6-9)8-15(26-14)17(23)20-19-16(22)10-3-4-12(18)13(7-10)21(24)25/h3-4,7-9H,2,5-6H2,1H3,(H,19,22)(H,20,23)/t9-/m0/s1