ethyl (1E)-N-[2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]methanehydrazonate

Systemtic Name: ethyl (1E)-N-[2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]methanehydrazonate Openeye Name: ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylacetyl]methanehydrazonate CAS Name: (1E)-N-[2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-1-oxoethyl]methanehydrazonic acid ethyl ester IUPAC Name: ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate Traditional Name: (1E)-N-[2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]acetyl]formohydrazonic acid ethyl ester Formula: C20H19IN4O3S MolecularWeight: 522.35933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCO/C=N/NC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H19IN4O3S/c1-2-28-13-22-24-18(26)12-29-20-23-17-9-8-15(21)10-16(17)19(27)25(20)11-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,24,26)/b22-13+