3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methylsulfanyl-urea

Systemtic Name: 3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methylsulfanyl-urea Openeye Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methylsulfanyl-urea CAS Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-(methylthio)urea IUPAC Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-methylsulfanylurea Traditional Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-(methylthio)urea Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N(CCC#N)SC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N(CCC#N)SC)OC)Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-19-11-8-10(12(20-2)7-9(11)14)16-13(18)17(21-3)6-4-5-15/h7-8H,4,6H2,1-3H3,(H,16,18)