1-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H20BrF3N4O2S MolecularWeight: 529.37331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

InChI

InChI=1S/C21H20BrF3N4O2S/c1-11-9-16(30)31-15-10-13(5-6-14(11)15)27-20(32)26-7-2-8-29-18(12-3-4-12)17(22)19(28-29)21(23,24)25/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,26,27,32)