N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H15N3O5S2/c23-17(13-2-1-6-21(25)10-13)20-5-7-22-18(24)16(29-19(22)28)9-12-3-4-14-15(8-12)27-11-26-14/h1-4,6,8-10H,5,7,11H2,(H,20,23)/b16-9+