2-chloranyl-5-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C16H13ClN6O3S MolecularWeight: 404.83082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=NC=CN=C3

InChI

InChI=1S/C16H13ClN6O3S/c1-23-14(12-7-18-4-5-19-12)21-22-16(23)27-8-13(24)20-9-2-3-11(17)10(6-9)15(25)26/h2-7H,8H2,1H3,(H,20,24)(H,25,26)