3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-thioxo-quinazolin-4-olate Formula: C18H11ClN5O2S- MolecularWeight: 396.83024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C18H12ClN5O2S/c19-11-7-5-10(6-8-11)14-9-15(22-21-14)16(25)23-24-17(26)12-3-1-2-4-13(12)20-18(24)27/h1-9,26H,(H,21,22)(H,23,25)/p-1