SpectraBase Compound ID | 3XlTqIEMPX0 |
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InChI | InChI=1S/C28H18Cl2N8OS/c1-16-27(33-31-21-12-11-18(29)14-20(21)30)40-28-34-32-26(38(28)35-16)22-15-23(37(36-22)19-8-3-2-4-9-19)25-13-17-7-5-6-10-24(17)39-25/h2-15,31H,1H3/b33-27+ |
InChIKey | CFKOZOWQNINBPQ-MUGXBBEHSA-N |
Mol Weight | 585.47 g/mol |
Molecular Formula | C28H18Cl2N8OS |
Exact Mass | 584.070134 g/mol |
SpectraBase Spectrum ID | 7mcYWKrLVje |
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Name | 3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-[2"-(2"',4"'-dichlorophenyl)hydrazono]-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine |
Comments | Less than 3 mono-isotopic peaks |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C28H18Cl2N8OS |
InChI | InChI=1S/C28H18Cl2N8OS/c1-16-27(33-31-21-12-11-18(29)14-20(21)30)40-28-34-32-26(38(28)35-16)22-15-23(37(36-22)19-8-3-2-4-9-19)25-13-17-7-5-6-10-24(17)39-25/h2-15,31H,1H3/b33-27+ |
InChIKey | CFKOZOWQNINBPQ-MUGXBBEHSA-N |
Molecular Weight | 585.473 g/mol |
SMILES | N(\N=C/1Sc2[n](c(-c3n[n](-c4ccccc4)c(c3)-c3oc4ccccc4c3)nn2)N=C1C)c1c(cc(Cl)cc1)Cl |
SPLASH | splash10-004i-9000010000-0c18d0fd6b9ef1f43d17 |
Source of Spectrum | AH-140-604-12c |
Synonyms | N-[(E)-[3-[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-2,4-dichloroaniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-2,4-dichloroaniline N-[(E)-[3-[5-(benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-2,4-dichloro-aniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-2,4-bis(chloranyl)aniline |
Wiley ID | 1696161 |