5-[4-[(5-bromanylthiophen-3-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-[(5-bromanylthiophen-3-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-[(5-bromo-3-thienyl)methylamino]phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-[(5-bromo-3-thiophenyl)methylamino]phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-[(5-bromothiophen-3-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-[(5-bromo-3-thienyl)methylamino]phenyl]-3-pyrazolin-3-one Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)NN2)NCC3=CSC(=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)NN2)NCC3=CSC(=C3)Br

InChI

InChI=1S/C14H12BrN3OS/c15-13-5-9(8-20-13)7-16-11-3-1-10(2-4-11)12-6-14(19)18-17-12/h1-6,8,16H,7H2,(H2,17,18,19)