4-(2,3-dimethylphenyl)-1-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-(2,3-dimethylphenyl)-1-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-benzylsulfanyl-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(2,3-dimethylphenyl)-1-(phenylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-benzylsulfanyl-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(benzylthio)-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=C5)C

InChI

InChI=1S/C24H20N4OS/c1-16-9-8-14-20(17(16)2)27-22(29)19-12-6-7-13-21(19)28-23(27)25-26-24(28)30-15-18-10-4-3-5-11-18/h3-14H,15H2,1-2H3