N-(cyanomethyl)-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]propanamide

Systemtic Name: N-(cyanomethyl)-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]propanamide Openeye Name: 3-benzylsulfanyl-2-(benzylsulfanylmethyl)-N-(cyanomethyl)propanamide CAS Name: N-(cyanomethyl)-3-(phenylmethylthio)-2-[(phenylmethylthio)methyl]propanamide IUPAC Name: 3-benzylsulfanyl-2-(benzylsulfanylmethyl)-N-(cyanomethyl)propanamide Traditional Name: 3-(benzylthio)-2-[(benzylthio)methyl]-N-(cyanomethyl)propionamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS2/c21-11-12-22-20(23)19(15-24-13-17-7-3-1-4-8-17)16-25-14-18-9-5-2-6-10-18/h1-10,19H,12-16H2,(H,22,23)