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

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-(5-isopentylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(3-methylbutylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[5-(isoamylthio)-1,3,4-thiadiazol-2-yl]-4-methoxy-pyrazole-3-carboxamide Formula: C18H20FN5O2S2 MolecularWeight: 421.512103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(S1)NC(=O)C2=NN(C=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CCSC1=NN=C(S1)NC(=O)C2=NN(C=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN5O2S2/c1-11(2)8-9-27-18-22-21-17(28-18)20-16(25)15-14(26-3)10-24(23-15)13-6-4-12(19)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,25)