1-[[2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-thiourea

Systemtic Name: 1-[[2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[2,2-dimethyl-4-(2-oxo-1-pyridyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[2,2-dimethyl-4-(2-oxopyridin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-ethyl-3-[[4-(2-keto-1-pyridyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]thiourea Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3C=CC=CC3=O

Isomeric SMILES

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3C=CC=CC3=O

InChI

InChI=1S/C21H22F3N3O2S/c1-4-25-19(30)26-12-15-18(27-10-6-5-7-17(27)28)14-11-13(21(22,23)24)8-9-16(14)29-20(15,2)3/h5-11H,4,12H2,1-3H3,(H2,25,26,30)