2-[[(4aS,7aS)-5,7-dimethyl-6-oxidanylidene-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(4aS,7aS)-5,7-dimethyl-6-oxidanylidene-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4aS,7aS)-5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]sulfanyl]acetic acid CAS Name: 2-[[(4aS,7aS)-5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]thio]acetic acid IUPAC Name: 2-[[(4aS,7aS)-5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4aS,7aS)-6-keto-5,7-dimethyl-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl]thio]acetic acid Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C2(C1(NNC(=N2)SCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CN1C(=O)N([C@@]2([C@@]1(NNC(=N2)SCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H21N5O3S/c1-24-18(28)25(2)20(15-11-7-4-8-12-15)19(24,14-9-5-3-6-10-14)21-17(22-23-20)29-13-16(26)27/h3-12,23H,13H2,1-2H3,(H,21,22)(H,26,27)/t19-,20-/m1/s1