(5E)-5-(phenylmethylidene)-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-(phenylmethylidene)-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-benzylidene-3-[(pyridin-1-ium-2-ylamino)methyl]thiazolidine-2,4-dione CAS Name: (5E)-5-(phenylmethylene)-3-[(2-pyridin-1-iumylamino)methyl]thiazolidine-2,4-dione IUPAC Name: (5E)-5-benzylidene-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-benzal-3-[(pyridin-1-ium-2-ylamino)methyl]thiazolidine-2,4-quinone Formula: C16H14N3O2S+ MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CNC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CNC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H13N3O2S/c20-15-13(10-12-6-2-1-3-7-12)22-16(21)19(15)11-18-14-8-4-5-9-17-14/h1-10H,11H2,(H,17,18)/p+1/b13-10+