N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carboxamide Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)F

InChI

InChI=1S/C20H16FN3O2S/c1-11-6-7-12(8-15(11)21)17-9-16(24-26-17)19(25)23-20-14(10-22)13-4-2-3-5-18(13)27-20/h6-9H,2-5H2,1H3,(H,23,25)