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

Systemtic Name: 3-methoxy-1-methyl-N-[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-methoxy-1-methyl-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-methoxy-1-methyl-N-[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-methoxy-1-methyl-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: N-[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C20H23N7O3S2 MolecularWeight: 473.57172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3S2/c1-25-12-15(18(24-25)30-2)17(29)21-19-22-23-20(32-19)31-13-16(28)27-10-8-26(9-11-27)14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,29)