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

Systemtic Name: 3-[[3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[[3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-2-thioxo-quinazolin-4-olate Formula: C21H17ClN5O2S- MolecularWeight: 438.90998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-])C)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-12-18(22)13(2)26(24-12)11-14-6-5-7-15(10-14)19(28)25-27-20(29)16-8-3-4-9-17(16)23-21(27)30/h3-10,29H,11H2,1-2H3,(H,25,28)/p-1