4-[(3-bromophenyl)methylsulfanyl]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

Systemtic Name: 4-[(3-bromophenyl)methylsulfanyl]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one Openeye Name: 4-[(3-bromophenyl)methylsulfanyl]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one CAS Name: 4-[(3-bromophenyl)methylthio]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one IUPAC Name: 4-[(3-bromophenyl)methylsulfanyl]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one Traditional Name: 4-[(3-bromobenzyl)thio]-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC(=O)NN3C(=N2)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC(=O)NN3C(=N2)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN4OS/c19-14-8-4-5-12(9-14)11-25-18-21-17(13-6-2-1-3-7-13)20-15-10-16(24)22-23(15)18/h1-10H,11H2,(H,22,24)