3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate Formula: C16H16N5O2S- MolecularWeight: 342.39554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C

InChI

InChI=1S/C16H17N5O2S/c1-10-9-11(2)20(18-10)8-7-14(22)19-21-15(23)12-5-3-4-6-13(12)17-16(21)24/h3-6,9,23H,7-8H2,1-2H3,(H,19,22)/p-1