2-butyl-1,3-bis(oxidanylidene)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[2-(2-thienylmethyl)pyrazol-3-yl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-(2-thenyl)pyrazol-3-yl]isoindoline-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C21H20N4O3S/c1-2-3-10-24-20(27)16-7-6-14(12-17(16)21(24)28)19(26)23-18-8-9-22-25(18)13-15-5-4-11-29-15/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,26)