1-(2-cyanoethyl)-1-methyl-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-(4-methylsulfanylphenyl)urea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(methylthio)phenyl]urea Formula: C12H15N3OS MolecularWeight: 249.332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3OS/c1-15(9-3-8-13)12(16)14-10-4-6-11(17-2)7-5-10/h4-7H,3,9H2,1-2H3,(H,14,16)