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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C17H13ClFN5O2S MolecularWeight: 405.833823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN5O2S/c1-24-16(26)11-5-3-2-4-10(11)14(23-24)15(25)21-22-17(27)20-9-6-7-13(19)12(18)8-9/h2-8H,1H3,(H,21,25)(H2,20,22,27)