2-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-3-(pyridin-1-ium-3-ylmethyl)-1,3-thiazolidin-4-one

Systemtic Name: 2-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-3-(pyridin-1-ium-3-ylmethyl)-1,3-thiazolidin-4-one Openeye Name: 2-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]-3-(pyridin-1-ium-3-ylmethyl)thiazolidin-4-one CAS Name: 2-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-3-(3-pyridin-1-iumylmethyl)-4-thiazolidinone IUPAC Name: 2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(pyridin-1-ium-3-ylmethyl)-1,3-thiazolidin-4-one Traditional Name: 2-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]-3-(pyridin-1-ium-3-ylmethyl)thiazolidin-4-one Formula: C27H21N4O3S+ MolecularWeight: 481.54564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)CC6=C[NH+]=CC=C6

Isomeric SMILES

C1C(=O)N(C(S1)C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)CC6=C[NH+]=CC=C6

InChI

InChI=1S/C27H20N4O3S/c32-24-17-35-26(30(24)15-18-7-6-12-28-14-18)22-16-31(20-9-2-1-3-10-20)29-25(22)21-13-19-8-4-5-11-23(19)34-27(21)33/h1-14,16,26H,15,17H2/p+1