2-[[4-(2,4-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(2,4-dimethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]methyl]isoindoline-1,3-quinone Formula: C26H19N5O3S MolecularWeight: 481.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCN5C(=O)C6=CC=CC=C6C5=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCN5C(=O)C6=CC=CC=C6C5=O)C

InChI

InChI=1S/C26H19N5O3S/c1-15-11-12-20(16(2)13-15)30-24(34)19-9-5-6-10-21(19)31-25(30)27-28-26(31)35-14-29-22(32)17-7-3-4-8-18(17)23(29)33/h3-13H,14H2,1-2H3