(1R,2R,5S)-2-[[2,4-bis(oxidanylidene)pyrido[1,2-a][1,3,5]triazin-3-yl]methyl]-5-[4-(4-chlorophenyl)phenyl]sulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: (1R,2R,5S)-2-[[2,4-bis(oxidanylidene)pyrido[1,2-a][1,3,5]triazin-3-yl]methyl]-5-[4-(4-chlorophenyl)phenyl]sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: (1R,2S,5R)-2-[4-(4-chlorophenyl)phenyl]sulfanyl-5-[(2,4-dioxopyrido[1,2-a][1,3,5]triazin-3-yl)methyl]cyclopentanecarboxylic acid CAS Name: (1R,2S,5R)-2-[[4-(4-chlorophenyl)phenyl]thio]-5-[(2,4-dioxo-3-pyrido[1,2-a][1,3,5]triazinyl)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,2S,5R)-2-[4-(4-chlorophenyl)phenyl]sulfanyl-5-[(2,4-dioxopyrido[1,2-a][1,3,5]triazin-3-yl)methyl]cyclopentane-1-carboxylic acid Traditional Name: (1R,2S,5R)-2-[[4-(4-chlorophenyl)phenyl]thio]-5-[(2,4-diketopyrido[1,2-a][1,3,5]triazin-3-yl)methyl]cyclopentanecarboxylic acid Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)N=C3C=CC=CN3C2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[C@@H]([C@H]([C@@H]1CN2C(=O)N=C3C=CC=CN3C2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1