1-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethanoylamino)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethanoylamino)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-[(2-cyanoacetyl)amino]thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-[(2-cyano-1-oxoethyl)amino]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-[(2-cyanoacetyl)amino]thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-[(2-cyanoacetyl)amino]thiourea Formula: C12H8F6N4OS MolecularWeight: 370.273539

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N(C(=S)N)NC(=O)CC#N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N(C(=S)N)NC(=O)CC#N)C(F)(F)F

InChI

InChI=1S/C12H8F6N4OS/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)22(10(20)24)21-9(23)1-2-19/h3-5H,1H2,(H2,20,24)(H,21,23)