[3-bromanyl-4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl] ester Formula: C14H12BrN5O3S MolecularWeight: 410.24578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)SC#N)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)SC#N)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN5O3S/c1-8-14(20(22)23)9(2)19(18-8)6-13(21)17-12-4-3-10(24-7-16)5-11(12)15/h3-5H,6H2,1-2H3,(H,17,21)