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

Systemtic Name: 5-[4-[(5-bromanylthiophen-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-[(5-bromo-2-thienyl)methylamino]phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-[(5-bromo-2-thiophenyl)methylamino]phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-[(5-bromothiophen-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-[(5-bromo-2-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=CC=C(S3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)NN2)NCC3=CC=C(S3)Br

InChI

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