4-bromanyl-5-(isothiocyanatomethyl)-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-(isothiocyanatomethyl)-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-(isothiocyanatomethyl)-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-(isothiocyanatomethyl)-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-(isothiocyanatomethyl)-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-(isothiocyanatomethyl)-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C12H10BrN3OS MolecularWeight: 324.1963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN=C=S

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN=C=S

InChI

InChI=1S/C12H10BrN3OS/c1-15-10(7-14-8-18)11(13)12(17)16(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3