4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]thiophen-2-yl]benzoic acid Openeye Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-2-thienyl]benzoic acid CAS Name: 4-[3-[5,6-di(propan-2-yl)-2-pyrazinyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]thiophen-2-yl]benzoic acid Traditional Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-2-thienyl]benzoic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(N=C1C(C)C)C2=C(SC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=NC=C(N=C1C(C)C)C2=C(SC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-12(2)18-19(13(3)4)23-17(11-22-18)16-9-10-26-20(16)14-5-7-15(8-6-14)21(24)25/h5-13H,1-4H3,(H,24,25)