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

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate Formula: C16H15ClN5O2S- MolecularWeight: 376.8406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-9-14(17)10(2)21(19-9)8-7-13(23)20-22-15(24)11-5-3-4-6-12(11)18-16(22)25/h3-6,24H,7-8H2,1-2H3,(H,20,23)/p-1