1-(2-cyanoethyl)-1-methyl-3-(2-methylsulfanylphenyl)urea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-(2-methylsulfanylphenyl)urea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-[2-(methylthio)phenyl]urea Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CN(CCC#N)C(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H15N3OS/c1-15(9-5-8-13)12(16)14-10-6-3-4-7-11(10)17-2/h3-4,6-7H,5,9H2,1-2H3,(H,14,16)