4-bromanyl-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-1-methyl-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenylpyrazol-3-one Traditional Name: 4-bromo-1-methyl-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C14H14BrN5OS MolecularWeight: 380.26286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CN1C=NN=C1SCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

InChI=1S/C14H14BrN5OS/c1-18-9-16-17-14(18)22-8-11-12(15)13(21)20(19(11)2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3