4-cyano-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]benzamide

Systemtic Name: 4-cyano-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]benzamide Openeye Name: 4-cyano-N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-sulfanyl-butyl]benzamide CAS Name: 4-cyano-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-mercaptopentan-2-yl]benzamide IUPAC Name: 4-cyano-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanylpentan-2-yl]benzamide Traditional Name: 4-cyano-N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-mercapto-butyl]benzamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C19H25N3O4S/c1-2-24-14-26-12-18(9-16(13-27)11-25-8-7-20)22-19(23)17-5-3-15(10-21)4-6-17/h3-6,16,18,27H,2,8-9,11-14H2,1H3,(H,22,23)