N-(cyanomethyl)-2-[(3-cyanophenyl)methylsulfanylmethyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(cyanomethyl)-2-[(3-cyanophenyl)methylsulfanylmethyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-(benzylsulfanylmethyl)-N-(cyanomethyl)-3-[(3-cyanophenyl)methylsulfanyl]propanamide CAS Name: N-(cyanomethyl)-2-[[(3-cyanophenyl)methylthio]methyl]-3-(phenylmethylthio)propanamide IUPAC Name: 2-(benzylsulfanylmethyl)-N-(cyanomethyl)-3-[(3-cyanophenyl)methylsulfanyl]propanamide Traditional Name: 2-[(benzylthio)methyl]-3-[(3-cyanobenzyl)thio]-N-(cyanomethyl)propionamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC(=C2)C#N)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC(=C2)C#N)C(=O)NCC#N

InChI

InChI=1S/C21H21N3OS2/c22-9-10-24-21(25)20(15-26-13-17-5-2-1-3-6-17)16-27-14-19-8-4-7-18(11-19)12-23/h1-8,11,20H,10,13-16H2,(H,24,25)