2-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylcarbamothioylamino]-6-chloranyl-4-nitro-phenolate

Systemtic Name: 2-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylcarbamothioylamino]-6-chloranyl-4-nitro-phenolate Openeye Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]-6-chloro-4-nitro-phenolate CAS Name: 2-[[[[[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-chloro-4-nitrophenolate IUPAC Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]-6-chloro-4-nitrophenolate Traditional Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]thiocarbamoylamino]-6-chloro-4-nitro-phenolate Formula: C18H12BrClN5O4S- MolecularWeight: 509.74098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC(=CC(=C3[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC(=CC(=C3[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrClN5O4S/c19-12-7-21-24(9-12)8-10-1-3-11(4-2-10)17(27)23-18(30)22-15-6-13(25(28)29)5-14(20)16(15)26/h1-7,9,26H,8H2,(H2,22,23,27,30)/p-1