2-[[4-(4-chloranyl-3-fluoranyl-phenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[[4-(4-chloranyl-3-fluoranyl-phenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(4-chloro-3-fluoro-phenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-chloro-3-fluorophenyl)-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-chloro-3-fluorophenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-chloro-3-fluoro-phenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H19ClFN3OS MolecularWeight: 379.879363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C18H19ClFN3OS/c1-11(2)7-16(18(24)22-6-5-21)23-17-10-25-9-13(17)12-3-4-14(19)15(20)8-12/h3-4,8-11,16,23H,6-7H2,1-2H3,(H,22,24)