N-(cyanomethyl)-4-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-pyrrolidinylmethyl)phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(pyrrolidinomethyl)phenyl]phenyl]thio]valeramide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C25H31N3OS/c1-19(2)17-24(25(29)27-14-13-26)30-23-11-9-22(10-12-23)21-7-5-20(6-8-21)18-28-15-3-4-16-28/h5-12,19,24H,3-4,14-18H2,1-2H3,(H,27,29)