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

Systemtic Name: 2-oxidanyl-5-(6-oxidanylidene-1,2,3-triazin-1-yl)-2-[(4-pyridin-3-ylphenyl)sulfanylmethyl]pentanoic acid Openeye Name: 2-hydroxy-5-(6-oxotriazin-1-yl)-2-[[4-(3-pyridyl)phenyl]sulfanylmethyl]pentanoic acid CAS Name: 2-hydroxy-5-(6-oxo-1-triazinyl)-2-[[[4-(3-pyridinyl)phenyl]thio]methyl]pentanoic acid IUPAC Name: 2-hydroxy-5-(6-oxotriazin-1-yl)-2-[(4-pyridin-3-ylphenyl)sulfanylmethyl]pentanoic acid Traditional Name: 2-hydroxy-5-(6-ketotriazin-1-yl)-2-[[[4-(3-pyridyl)phenyl]thio]methyl]valeric acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c25-18-8-11-22-23-24(18)12-2-9-20(28,19(26)27)14-29-17-6-4-15(5-7-17)16-3-1-10-21-13-16/h1,3-8,10-11,13,28H,2,9,12,14H2,(H,26,27)