4-iodanyl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 4-iodanyl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Openeye Name: 4-iodo-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide CAS Name: 4-iodo-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide IUPAC Name: 4-iodo-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide Formula: C12H8IN5O2S MolecularWeight: 413.19369

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=C(C=NN3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C12H8IN5O2S/c13-7-5-14-16-9(7)10(19)17-18-11(20)6-3-1-2-4-8(6)15-12(18)21/h1-5H,(H,14,16)(H,15,21)(H,17,19)