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

Systemtic Name: 4-[(4-methylphenyl)methyl]-1-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-[(4-methylphenyl)methyl]-1-[(4-nitrophenyl)methylthio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-[(4-methylphenyl)methyl]-1-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-(4-methylbenzyl)-1-[(4-nitrobenzyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C24H19N5O3S MolecularWeight: 457.50436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O3S/c1-16-6-8-17(9-7-16)14-27-22(30)20-4-2-3-5-21(20)28-23(27)25-26-24(28)33-15-18-10-12-19(13-11-18)29(31)32/h2-13H,14-15H2,1H3