4-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 4-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 4-[2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]benzamide CAS Name: 4-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide IUPAC Name: 4-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide Traditional Name: 4-[2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]benzamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)COC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C20H17N3O3S2/c21-20(25)13-5-7-14(8-6-13)26-12-19(24)23-16(18-4-2-10-28-18)11-15(22-23)17-3-1-9-27-17/h1-10,16H,11-12H2,(H2,21,25)/t16-/m0/s1