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

Systemtic Name: 2-[[4-[(4-methylphenyl)methyl]-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-oxo-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-keto-4-(4-methylbenzyl)-[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)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H19N5O3S/c1-16-10-12-17(13-11-16)14-29-24(34)20-8-4-5-9-21(20)31-25(29)27-28-26(31)35-15-30-22(32)18-6-2-3-7-19(18)23(30)33/h2-13H,14-15H2,1H3