[3-bromanyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[(1,3,5-trimethyl-4-pyrazolyl)sulfonylamino]phenyl] ester IUPAC Name: [3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] ester Formula: C13H13BrN4O2S2 MolecularWeight: 401.30192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C13H13BrN4O2S2/c1-8-13(9(2)18(3)16-8)22(19,20)17-12-5-4-10(21-7-15)6-11(12)14/h4-6,17H,1-3H3