2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4S)-8-fluorothiochroman-4-yl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4S)-8-fluorothiochroman-4-yl]acetamide Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2CCSC3=C2C=CC=C3F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H]2CCSC3=C2C=CC=C3F)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN4O3S/c1-9-15(21(23)24)10(2)20(19-9)8-14(22)18-13-6-7-25-16-11(13)4-3-5-12(16)17/h3-5,13H,6-8H2,1-2H3,(H,18,22)/t13-/m0/s1