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

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-(3-methylsulfanylphenyl)urea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(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=C1)SC

Isomeric SMILES

CN(CCC#N)C(=O)NC1=CC(=CC=C1)SC

InChI

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