1-[(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea

Systemtic Name: 1-[(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea Openeye Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea CAS Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea IUPAC Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea Traditional Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]thiourea Formula: C11H9F6N3S MolecularWeight: 329.264679

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C/C(=N\NC(=S)N)/C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H9F6N3S/c1-5(19-20-9(18)21)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2-4H,1H3,(H3,18,20,21)/b19-5+