1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiourea Formula: C20H17ClF3N5O2S MolecularWeight: 483.89449

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3N5O2S/c1-2-9-29-18(31)13-6-4-3-5-12(13)16(28-29)17(30)26-27-19(32)25-15-10-11(20(22,23)24)7-8-14(15)21/h3-8,10H,2,9H2,1H3,(H,26,30)(H2,25,27,32)