3-[[(2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[(2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[(2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(2S)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[(2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-thioxo-quinazolin-4-olate Formula: C17H17BrN5O2S- MolecularWeight: 435.31818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C)C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C)Br

InChI

InChI=1S/C17H18BrN5O2S/c1-9(8-22-11(3)14(18)10(2)20-22)15(24)21-23-16(25)12-6-4-5-7-13(12)19-17(23)26/h4-7,9,25H,8H2,1-3H3,(H,21,24)/p-1/t9-/m0/s1