3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC(=C(C=C1OC)Cl)OC

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC(=C(C=C1OC)Cl)OC

InChI

InChI=1S/C13H16ClN3O2S/c1-17(6-4-5-15)13(20)16-10-8-11(18-2)9(14)7-12(10)19-3/h7-8H,4,6H2,1-3H3,(H,16,20)