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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylallyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylallyl)thiourea Formula: C13H12F6N2S MolecularWeight: 342.303199

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=C)CNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H12F6N2S/c1-7(2)6-20-11(22)21-10-4-8(12(14,15)16)3-9(5-10)13(17,18)19/h3-5H,1,6H2,2H3,(H2,20,21,22)