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2-(5-(1-(2-(4-chlorophenyl)-6-iodo-4-oxoquinazolin-3(4H)-yl)ethyl)-1,3,4-oxadiazol-2-ylthio)acetonitrile
SpectraBase Compound ID BEjwXhY8Dno
InChI InChI=1S/C20H13ClIN5O2S/c1-11(18-25-26-20(29-18)30-9-8-23)27-17(12-2-4-13(21)5-3-12)24-16-7-6-14(22)10-15(16)19(27)28/h2-7,10-11H,9H2,1H3
InChIKey VNRSFAQSDMFCSE-UHFFFAOYSA-N
Mol Weight 549.77 g/mol
Molecular Formula C20H13ClIN5O2S
Exact Mass 548.952319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RPSwkq8tMQ
Name 2-(5-(1-(2-(4-chlorophenyl)-6-iodo-4-oxoquinazolin-3(4H)-yl)ethyl)-1,3,4-oxadiazol-2-ylthio)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClIN5O2S
InChI InChI=1S/C20H13ClIN5O2S/c1-11(18-25-26-20(29-18)30-9-8-23)27-17(12-2-4-13(21)5-3-12)24-16-7-6-14(22)10-15(16)19(27)28/h2-7,10-11H,9H2,1H3
InChIKey VNRSFAQSDMFCSE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700271
Molecular Weight 549.774 g/mol
SMILES c12N=C(N(C(c1cc(cc2)I)=O)C(C)c1nnc(o1)SCC#N)c1ccc(cc1)Cl
SPLASH splash10-0udi-0900060000-a2798ed7e84f4428320c
Source of Spectrum APC-341-382-6b
Synonyms 2-((5-(1-(2-(4-chlorophenyl)-6-iodo-4-oxoquinazolin-3(4H)-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetonitrile
Wiley ID 1768944