2-oxidanyl-5-(6-oxidanylidene-1,2,3-triazin-1-yl)-2-[(4-phenylphenyl)sulfanylmethyl]pentanoic acid

Systemtic Name: 2-oxidanyl-5-(6-oxidanylidene-1,2,3-triazin-1-yl)-2-[(4-phenylphenyl)sulfanylmethyl]pentanoic acid Openeye Name: 2-hydroxy-5-(6-oxotriazin-1-yl)-2-[(4-phenylphenyl)sulfanylmethyl]pentanoic acid CAS Name: 2-hydroxy-5-(6-oxo-1-triazinyl)-2-[[(4-phenylphenyl)thio]methyl]pentanoic acid IUPAC Name: 2-hydroxy-5-(6-oxotriazin-1-yl)-2-[(4-phenylphenyl)sulfanylmethyl]pentanoic acid Traditional Name: 2-hydroxy-5-(6-ketotriazin-1-yl)-2-[[(4-phenylphenyl)thio]methyl]valeric acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)SCC(CCCN3C(=O)C=CN=N3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)SCC(CCCN3C(=O)C=CN=N3)(C(=O)O)O

InChI

InChI=1S/C21H21N3O4S/c25-19-11-13-22-23-24(19)14-4-12-21(28,20(26)27)15-29-18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-11,13,28H,4,12,14-15H2,(H,26,27)