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1-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name:1-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
Openeye Name:1-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CAS Name:1-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name:1-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
Traditional Name:1-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
Formula: C21H15F3N4O2S
MolecularWeight: 444.42961
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)C(F)(F)F


Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)C(F)(F)F


InChI

InChI=1S/C21H15F3N4O2S/c22-21(23,24)13-2-1-3-14(9-13)25-20(30)26-15-4-5-16-17(10-15)19(29)28-27-18(16)8-12-6-7-31-11-12/h1-7,9-11H,8H2,(H,28,29)(H2,25,26,30)


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