5-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-5-oxopentanoic acid IUPAC Name: 5-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-5-oxopentanoic acid Traditional Name: 5-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C16H16N2O3S2 MolecularWeight: 348.43984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CCCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H16N2O3S2/c19-15(6-1-7-16(20)21)18-12(14-5-3-9-23-14)10-11(17-18)13-4-2-8-22-13/h2-5,8-9,12H,1,6-7,10H2,(H,20,21)