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

Systemtic Name: 1,3-bis(oxidanylidene)-2-prop-2-enyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]isoindole-5-carboxamide Openeye Name: 2-allyl-1,3-dioxo-N-[2-(2-thienylmethyl)pyrazol-3-yl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-prop-2-enyl-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-prop-2-enyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]isoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[2-(2-thenyl)pyrazol-3-yl]isoindoline-5-carboxamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C20H16N4O3S/c1-2-9-23-19(26)15-6-5-13(11-16(15)20(23)27)18(25)22-17-7-8-21-24(17)12-14-4-3-10-28-14/h2-8,10-11H,1,9,12H2,(H,22,25)