5-(1H-benzimidazol-2-ylsulfanylmethyl)-4-bromanyl-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-4-bromanyl-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-4-bromo-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-4-bromo-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-4-bromo-1-methyl-2-phenylpyrazol-3-one Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-4-bromo-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15BrN4OS MolecularWeight: 415.3069

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H15BrN4OS/c1-22-15(11-25-18-20-13-9-5-6-10-14(13)21-18)16(19)17(24)23(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,21)