N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-ethanethioamide

Systemtic Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-ethanethioamide Openeye Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]-N-phenyl-thioacetamide CAS Name: N-[2-(2-cyano-1-aziridinyl)-2-oxoethyl]-N-phenylethanethioamide IUPAC Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]-N-phenylethanethioamide Traditional Name: N-[2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]-N-phenyl-thioacetamide Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(CC(=O)N1CC1C#N)C2=CC=CC=C2

Isomeric SMILES

CC(=S)N(CC(=O)N1CC1C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-10(18)15(11-5-3-2-4-6-11)9-13(17)16-8-12(16)7-14/h2-6,12H,8-9H2,1H3