N-[6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylpyridazin-3-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylpyridazin-3-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylpyridazin-3-yl]-9H-xanthene-9-carboxamide CAS Name: N-[6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridazinyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[6-[(2-keto-2-pyrrolidino-ethyl)thio]pyridazin-3-yl]-9H-xanthene-9-carboxamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H22N4O3S/c29-22(28-13-5-6-14-28)15-32-21-12-11-20(26-27-21)25-24(30)23-16-7-1-3-9-18(16)31-19-10-4-2-8-17(19)23/h1-4,7-12,23H,5-6,13-15H2,(H,25,26,30)