4-[4-methyl-2-(pyrazin-2-ylmethyl)-1,3-thiazol-5-yl]benzoic acid

Systemtic Name: 4-[4-methyl-2-(pyrazin-2-ylmethyl)-1,3-thiazol-5-yl]benzoic acid Openeye Name: 4-[4-methyl-2-(pyrazin-2-ylmethyl)thiazol-5-yl]benzoic acid CAS Name: 4-[4-methyl-2-(2-pyrazinylmethyl)-5-thiazolyl]benzoic acid IUPAC Name: 4-[4-methyl-2-(pyrazin-2-ylmethyl)-1,3-thiazol-5-yl]benzoic acid Traditional Name: 4-[4-methyl-2-(pyrazin-2-ylmethyl)thiazol-5-yl]benzoic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2S/c1-10-15(11-2-4-12(5-3-11)16(20)21)22-14(19-10)8-13-9-17-6-7-18-13/h2-7,9H,8H2,1H3,(H,20,21)