N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-3-pyrazolecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Formula: C15H13FN6O3S2 MolecularWeight: 408.430523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H13FN6O3S2/c1-25-10-6-22(9-4-2-8(16)3-5-9)21-12(10)13(24)18-14-19-20-15(27-14)26-7-11(17)23/h2-6H,7H2,1H3,(H2,17,23)(H,18,19,24)