1-(4-fluorophenyl)-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Formula: C16H14FN5O2S2 MolecularWeight: 391.443063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN5O2S2/c1-3-8-25-16-20-19-15(26-16)18-14(23)13-12(24-2)9-22(21-13)11-6-4-10(17)5-7-11/h3-7,9H,1,8H2,2H3,(H,18,19,23)