3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C12H11ClF3N3S MolecularWeight: 321.74905

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C12H11ClF3N3S/c1-19(6-2-5-17)11(20)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,6H2,1H3,(H,18,20)