4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-methoxy-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Formula: C17H14F3N5O2S2 MolecularWeight: 441.45057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC=C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC=C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2S2/c1-3-7-28-16-23-22-15(29-16)21-14(26)13-12(27-2)9-25(24-13)11-6-4-5-10(8-11)17(18,19)20/h3-6,8-9H,1,7H2,2H3,(H,21,22,26)