N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: 4-ethoxy-1-(4-fluorophenyl)-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C18H20FN5O2S2 MolecularWeight: 421.512103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=NN(C=C2OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=NN(C=C2OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN5O2S2/c1-4-11(3)27-18-22-21-17(28-18)20-16(25)15-14(26-5-2)10-24(23-15)13-8-6-12(19)7-9-13/h6-11H,4-5H2,1-3H3,(H,20,21,25)