1-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(2,4-dichlorophenyl)methylthio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[(2,4-dichlorobenzyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H14Cl2N4OS MolecularWeight: 453.34376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14Cl2N4OS/c23-15-11-10-14(18(24)12-15)13-30-22-26-25-21-27(16-6-2-1-3-7-16)20(29)17-8-4-5-9-19(17)28(21)22/h1-12H,13H2