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1,3-bis(4"-Chlorophenyl)-2,4-bis[(3'-methylthio-6'-methyl-5'-oxo-1',2',4'-triazin-4'-yl)imino]-1,3-diazetidine

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1,3-bis(4"-Chlorophenyl)-2,4-bis[(3'-methylthio-6'-methyl-5'-oxo-1',2',4'-triazin-4'-yl)imino]-1,3-diazetidine
SpectraBase Compound ID AsMVaRRA3X2
InChI InChI=1S/C24H20Cl2N10O2S2/c1-13-19(37)35(23(39-3)29-27-13)31-21-33(17-9-5-15(25)6-10-17)22(34(21)18-11-7-16(26)8-12-18)32-36-20(38)14(2)28-30-24(36)40-4/h5-12H,1-4H3/b31-21-,32-22-
InChIKey SCOZHEQAXNZQNK-RYJWMXFHSA-N
Mol Weight 615.52 g/mol
Molecular Formula C24H20Cl2N10O2S2
Exact Mass 614.058918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49XLluhggua
Name 1,3-Bis(4-chloro-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H20Cl2N10O2S2
InChI InChI=1S/C24H20Cl2N10O2S2/c1-13-19(37)35(23(39-3)29-27-13)31-21-33(17-9-5-15(25)6-10-17)22(34(21)18-11-7-16(26)8-12-18)32-36-20(38)14(2)28-30-24(36)40-4/h5-12H,1-4H3/b31-21-,32-22-
InChIKey SCOZHEQAXNZQNK-RYJWMXFHSA-N
Literature Reference R.M. Claramunt, M.D. Foces-Foces, J. Chem. Soc. Perkin II 1859 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3