3-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-(4-chloropyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-(4-chloropyrazol-1-yl)propanoylamino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-(4-chloropyrazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate Formula: C14H11ClN5O2S- MolecularWeight: 348.78744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)CCN3C=C(C=N3)Cl)[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)CCN3C=C(C=N3)Cl)[O-]

InChI

InChI=1S/C14H12ClN5O2S/c15-9-7-16-19(8-9)6-5-12(21)18-20-13(22)10-3-1-2-4-11(10)17-14(20)23/h1-4,7-8,22H,5-6H2,(H,18,21)/p-1