1-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-thiourea

Systemtic Name: 1-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]-3-phenyl-thiourea CAS Name: 1-[2-(2-cyano-1-aziridinyl)-2-oxoethyl]-3-phenylthiourea IUPAC Name: 1-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]-3-phenylthiourea Traditional Name: 1-[2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]-3-phenyl-thiourea Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=O)CNC(=S)NC2=CC=CC=C2)C#N

Isomeric SMILES

C1C(N1C(=O)CNC(=S)NC2=CC=CC=C2)C#N

InChI

InChI=1S/C12H12N4OS/c13-6-10-8-16(10)11(17)7-14-12(18)15-9-4-2-1-3-5-9/h1-5,10H,7-8H2,(H2,14,15,18)