4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: N-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Formula: C17H16FN5O3S2 MolecularWeight: 421.469043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN5O3S2/c1-3-26-13-8-23(12-6-4-11(18)5-7-12)22-14(13)15(25)19-16-20-21-17(28-16)27-9-10(2)24/h4-8H,3,9H2,1-2H3,(H,19,20,25)