2-[[3-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-methyl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]benzoyl]amino]benzoic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C(C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)S

Isomeric SMILES

CN1C=NN=C1C(C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)S

InChI

InChI=1S/C18H16N4O3S/c1-22-10-19-21-16(22)15(26)11-5-4-6-12(9-11)17(23)20-14-8-3-2-7-13(14)18(24)25/h2-10,15,26H,1H3,(H,20,23)(H,24,25)