3-[(6-chloranyl-1,4-dihydro-1,3,5-triazin-2-yl)sulfanyl]benzoic acid

Systemtic Name: 3-[(6-chloranyl-1,4-dihydro-1,3,5-triazin-2-yl)sulfanyl]benzoic acid Openeye Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)sulfanyl]benzoic acid CAS Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)thio]benzoic acid IUPAC Name: 3-[(6-chloro-1,4-dihydro-1,3,5-triazin-2-yl)sulfanyl]benzoic acid Traditional Name: 3-[(6-chloro-1,4-dihydro-s-triazin-2-yl)thio]benzoic acid Formula: C10H8ClN3O2S MolecularWeight: 269.70742

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)Cl)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1N=C(NC(=N1)Cl)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C10H8ClN3O2S/c11-9-12-5-13-10(14-9)17-7-3-1-2-6(4-7)8(15)16/h1-4H,5H2,(H,15,16)(H,12,13,14)