3-ethoxy-1-ethyl-N-[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: 3-ethoxy-1-ethyl-N-[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-ethoxy-1-ethyl-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-ethoxy-1-ethyl-N-[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-ethoxy-1-ethyl-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 3-ethoxy-1-ethyl-N-[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C22H27N7O3S2 MolecularWeight: 501.62488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7O3S2/c1-3-29-14-17(20(26-29)32-4-2)19(31)23-21-24-25-22(34-21)33-15-18(30)28-12-10-27(11-13-28)16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,24,31)