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

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: N-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Formula: C16H14FN5O3S2 MolecularWeight: 407.442463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(S1)NC(=O)C2=NN(C=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)CSC1=NN=C(S1)NC(=O)C2=NN(C=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN5O3S2/c1-9(23)8-26-16-20-19-15(27-16)18-14(24)13-12(25-2)7-22(21-13)11-5-3-10(17)4-6-11/h3-7H,8H2,1-2H3,(H,18,19,24)