(5Z)-3-(3-morpholin-4-ium-4-ylpropyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-3-(3-morpholin-4-ium-4-ylpropyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-3-(3-morpholin-4-ium-4-ylpropyl)-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-[3-(4-morpholin-4-iumyl)propyl]-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-3-(3-morpholin-4-ium-4-ylpropyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-3-(3-morpholin-4-ium-4-ylpropyl)-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C(=CC3=CN(N=C3)C4=CC=CC=C4)SC2=S

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/SC2=S

InChI

InChI=1S/C20H22N4O2S2/c25-19-18(13-16-14-21-24(15-16)17-5-2-1-3-6-17)28-20(27)23(19)8-4-7-22-9-11-26-12-10-22/h1-3,5-6,13-15H,4,7-12H2/p+1/b18-13-