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3-[(2'-Chloroethylidene)amino]-2(1H)-thioxo-4(3H)-quinazolinone
SpectraBase Compound ID ISAzEhjFhr1
InChI InChI=1S/C10H8ClN3OS/c11-5-6-12-14-9(15)7-3-1-2-4-8(7)13-10(14)16/h1-4,6H,5H2,(H,13,16)/b12-6+
InChIKey NLOGDVAIEQSLBR-WUXMJOGZSA-N
Mol Weight 253.71 g/mol
Molecular Formula C10H8ClN3OS
Exact Mass 253.007661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RYPd7Tb8zp
Name 3-[(2'-Chloroethylidene)amino]-2(1H)-thioxo-4(3H)-quinazolinone
Alternate Name(s) 3-(2-Chloroethylideneamino)-2(1H)-thioxo-4(3H)-quinazolinone 3-{[(E)-2-chloroethylidene]amino}-2-thioxo-2,3-dihydro-4(1H)-quinazolinone (E)-3-((2-chloroethylidene)amino)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
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Formula C10H8ClN3OS
InChI InChI=1S/C10H8ClN3OS/c11-5-6-12-14-9(15)7-3-1-2-4-8(7)13-10(14)16/h1-4,6H,5H2,(H,13,16)/b12-6+
InChIKey NLOGDVAIEQSLBR-WUXMJOGZSA-N
Literature Reference DOI 10.1002/ardp.19973301208
Molecular Weight 253.707 g/mol
SMILES N1c2c(C(N(C1=S)\N=C\CCl)=O)cccc2
SPLASH splash10-000i-9540000000-1596c614ee0115fa0810
Source of Spectrum APP-330-403-8
Wiley ID 1770149