1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C16H11ClFN5O2S MolecularWeight: 391.807243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H11ClFN5O2S/c17-11-7-8(5-6-12(11)18)19-16(26)23-22-15(25)13-9-3-1-2-4-10(9)14(24)21-20-13/h1-7H,(H,21,24)(H,22,25)(H2,19,23,26)