N-(cyanomethyl)-4-methyl-2-(3-thiophen-2-ylphenyl)pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(3-thiophen-2-ylphenyl)pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(2-thienyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-(3-thiophen-2-ylphenyl)pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(3-thiophen-2-ylphenyl)pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(2-thienyl)phenyl]valeramide Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=CS2)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=CS2)C(=O)NCC#N

InChI

InChI=1S/C18H20N2OS/c1-13(2)11-16(18(21)20-9-8-19)14-5-3-6-15(12-14)17-7-4-10-22-17/h3-7,10,12-13,16H,9,11H2,1-2H3,(H,20,21)