3-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(2R)-3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-2-thioxo-quinazolin-4-olate Formula: C15H13BrN5O2S- MolecularWeight: 407.26502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

C[C@H](CN1C=C(C=N1)Br)C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

InChI

InChI=1S/C15H14BrN5O2S/c1-9(7-20-8-10(16)6-17-20)13(22)19-21-14(23)11-4-2-3-5-12(11)18-15(21)24/h2-6,8-9,23H,7H2,1H3,(H,19,22)/p-1/t9-/m1/s1