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

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-3-pyrazolecarboxamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Formula: C21H17FN6O3S2 MolecularWeight: 484.526483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN6O3S2/c1-31-16-11-28(15-9-7-13(22)8-10-15)27-18(16)19(30)24-20-25-26-21(33-20)32-12-17(29)23-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,29)(H,24,25,30)