N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide Formula: C17H15FN2OS MolecularWeight: 314.377203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C#N

InChI

InChI=1S/C17H15FN2OS/c1-10-6-7-15-12(8-10)13(9-19)17(22-15)20-16(21)11-4-2-3-5-14(11)18/h2-5,10H,6-8H2,1H3,(H,20,21)/t10-/m0/s1