3-[2-(5-methylpyrazol-1-yl)ethanoylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(5-methylpyrazol-1-yl)ethanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[2-(5-methylpyrazol-1-yl)acetyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[2-(5-methyl-1-pyrazolyl)-1-oxoethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[2-(5-methylpyrazol-1-yl)acetyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[2-(5-methylpyrazol-1-yl)acetyl]amino]-2-thioxo-quinazolin-4-olate Formula: C14H12N5O2S- MolecularWeight: 314.34238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c1-9-6-7-15-18(9)8-12(20)17-19-13(21)10-4-2-3-5-11(10)16-14(19)22/h2-7,21H,8H2,1H3,(H,17,20)/p-1