(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl carbamimidothioate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl carbamimidothioate Openeye Name: 2-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl carbamimidothioate Traditional Name: 2-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]isothiourea Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=N)N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=N)N

InChI

InChI=1S/C12H13BrN4OS/c1-16-9(7-19-12(14)15)10(13)11(18)17(16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,14,15)