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

Systemtic Name: 1-[(E)-1-[3,5-bis(trifluoromethyl)phenyl]propylideneamino]thiourea Openeye Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]propylideneamino]thiourea CAS Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]propylideneamino]thiourea IUPAC Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]propylideneamino]thiourea Traditional Name: [(E)-1-[3,5-bis(trifluoromethyl)phenyl]propylideneamino]thiourea Formula: C12H11F6N3S MolecularWeight: 343.291259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F6N3S/c1-2-9(20-21-10(19)22)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,2H2,1H3,(H3,19,21,22)/b20-9+