4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[2-(2-thienylmethyl)pyrazol-3-yl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]butanamide Traditional Name: 4-phthalimido-N-[2-(2-thenyl)pyrazol-3-yl]butyramide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C20H18N4O3S/c25-18(22-17-9-10-21-24(17)13-14-5-4-12-28-14)8-3-11-23-19(26)15-6-1-2-7-16(15)20(23)27/h1-2,4-7,9-10,12H,3,8,11,13H2,(H,22,25)