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

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-ethyl-thiourea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-ethyl-thiourea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-ethylthiourea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-ethylthiourea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-ethyl-thiourea Formula: C14H13F6N3S MolecularWeight: 369.328539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F6N3S/c1-2-23(5-3-4-21)12(24)22-11-7-9(13(15,16)17)6-10(8-11)14(18,19)20/h6-8H,2-3,5H2,1H3,(H,22,24)