N-(4-fluoranyl-3-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C16H15FN2O3S MolecularWeight: 334.365303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN2O3S/c1-9-2-5-14-10(6-9)7-15(23-14)16(20)18-11-3-4-12(17)13(8-11)19(21)22/h3-4,7-9H,2,5-6H2,1H3,(H,18,20)