1-[(2-cyanoaziridin-1-yl)-(4-methylsulfanylphenyl)methyl]aziridine-2-carboxamide

Systemtic Name: 1-[(2-cyanoaziridin-1-yl)-(4-methylsulfanylphenyl)methyl]aziridine-2-carboxamide Openeye Name: 1-[(2-cyanoaziridin-1-yl)-(4-methylsulfanylphenyl)methyl]aziridine-2-carboxamide CAS Name: 1-[(2-cyano-1-aziridinyl)-[4-(methylthio)phenyl]methyl]-2-aziridinecarboxamide IUPAC Name: 1-[(2-cyanoaziridin-1-yl)-(4-methylsulfanylphenyl)methyl]aziridine-2-carboxamide Traditional Name: 1-[(2-cyanoethylenimin-1-yl)-[4-(methylthio)phenyl]methyl]ethylenimine-2-carboxamide Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(N2CC2C#N)N3CC3C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(N2CC2C#N)N3CC3C(=O)N

InChI

InChI=1S/C14H16N4OS/c1-20-11-4-2-9(3-5-11)14(17-7-10(17)6-15)18-8-12(18)13(16)19/h2-5,10,12,14H,7-8H2,1H3,(H2,16,19)