2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C23H22N5O2S- MolecularWeight: 432.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-23(2,3)18-13-19(28(27-18)15-9-5-4-6-10-15)25-20(29)14-31-22-24-17-12-8-7-11-16(17)21(30)26-22/h4-13H,14H2,1-3H3,(H,25,29)(H,24,26,30)/p-1