1-phenyl-3-[4-[2-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]hydrazinyl]phenyl]thiourea

Systemtic Name: 1-phenyl-3-[4-[2-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]hydrazinyl]phenyl]thiourea Openeye Name: 1-phenyl-3-[4-[2-(4,4,4-trifluoro-3-oxo-butanoyl)hydrazino]phenyl]thiourea CAS Name: 1-phenyl-3-[4-[(4,4,4-trifluoro-1,3-dioxobutyl)hydrazo]phenyl]thiourea IUPAC Name: 1-phenyl-3-[4-[2-(4,4,4-trifluoro-3-oxobutanoyl)hydrazinyl]phenyl]thiourea Traditional Name: 1-phenyl-3-[4-[N'-(4,4,4-trifluoro-3-keto-butanoyl)hydrazino]phenyl]thiourea Formula: C17H15F3N4O2S MolecularWeight: 396.38681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NNC(=O)CC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NNC(=O)CC(=O)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O2S/c18-17(19,20)14(25)10-15(26)24-23-13-8-6-12(7-9-13)22-16(27)21-11-4-2-1-3-5-11/h1-9,23H,10H2,(H,24,26)(H2,21,22,27)