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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID ExosqukkKY4
InChI InChI=1S/C19H23ClN4O3S2/c1-10-14(20)15(24(2)23-10)16(25)21-19(28)22-17-13(18(26)27-3)11-8-6-4-5-7-9-12(11)29-17/h4-9H2,1-3H3,(H2,21,22,25,28)
InChIKey WCPUPKBTECJLHE-UHFFFAOYSA-N
Mol Weight 454.99 g/mol
Molecular Formula C19H23ClN4O3S2
Exact Mass 454.090011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMQGj4YiBDA
Name 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
Alternate Name(s) 2-[[[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Methyl 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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Formula C19H23ClN4O3S2
InChI InChI=1S/C19H23ClN4O3S2/c1-10-14(20)15(24(2)23-10)16(25)21-19(28)22-17-13(18(26)27-3)11-8-6-4-5-7-9-12(11)29-17/h4-9H2,1-3H3,(H2,21,22,25,28)
InChIKey WCPUPKBTECJLHE-UHFFFAOYSA-N
Molecular Weight 454.991 g/mol
SMILES N(C(=O)c1[n](nc(c1Cl)C)C)C(=S)Nc1sc2CCCCCCc2c1C(=O)OC
SPLASH splash10-000i-2659400000-c7ec428dc9152561f6e5
Wiley ID 1445667