5-[5-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[[5-cyano-4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]pentyl]-2-thenoic acid Formula: C23H19N3O3S4 MolecularWeight: 513.67526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(S2)C3=C(C(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O)C#N

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(S2)C3=C(C(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O)C#N

InChI

InChI=1S/C23H19N3O3S4/c24-13-15-20(18-10-9-17(33-18)16-6-4-12-30-16)25-23(26-21(15)27)31-11-3-1-2-5-14-7-8-19(32-14)22(28)29/h4,6-10,12H,1-3,5,11H2,(H,28,29)(H,25,26,27)