4-[(4-methylphenyl)methyl]-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-[(4-methylphenyl)methyl]-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-(2-phenoxyethylsulfanyl)-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-[(4-methylphenyl)methyl]-1-(2-phenoxyethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-[(4-methylphenyl)methyl]-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-(4-methylbenzyl)-1-(2-phenoxyethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCCOC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCCOC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c1-18-11-13-19(14-12-18)17-28-23(30)21-9-5-6-10-22(21)29-24(28)26-27-25(29)32-16-15-31-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3