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

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-ethoxy-1-(4-fluorophenyl)-N-(5-isopentylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(3-methylbutylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(isoamylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C19H22FN5O2S2 MolecularWeight: 435.538683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O2S2/c1-4-27-15-11-25(14-7-5-13(20)6-8-14)24-16(15)17(26)21-18-22-23-19(29-18)28-10-9-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22,26)