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

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-4-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C21H16FN5O3S2 MolecularWeight: 469.511843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O3S2/c1-30-17-11-27(15-9-7-14(22)8-10-15)26-18(17)19(29)23-20-24-25-21(32-20)31-12-16(28)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,29)