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4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
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![4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2a7382b32f624a9ea2bfb36f549bb69b.png "4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile")
4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
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CAS No:
444546-84-3
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Formula:
C17H11N3O3S
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Chemical Name:
4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
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Synonyms:
4-{5-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzonitrile;ZINC1278852;STK187336;AKOS000328365;444546-84-3
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CAS No:
4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile Basic Attributes
337.4 g/mol
337.05211239 g/mol
Computed Properties
Molecular Weight:337.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:337.05211239
Monoisotopic Mass:337.05211239
Topological Polar Surface Area:118
Heavy Atom Count:24
Complexity:643
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
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