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1,5-Dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-furyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 MS (GC)

1,5-Dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-furyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID ImyTJodbZCY
InChI InChI=1S/C23H17N5O4S2/c1-14-21(22(29)27(26(14)2)15-6-4-3-5-7-15)24-13-17-9-11-20(32-17)34-23-25-18-10-8-16(28(30)31)12-19(18)33-23/h3-13H,1-2H3/b24-13+
InChIKey KDIKIKIKUCECJN-ZMOGYAJESA-N
Mol Weight 491.54 g/mol
Molecular Formula C23H17N5O4S2
Exact Mass 491.072196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxlgCHyjMC4
Name 1,5-Dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-furyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
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Formula C23H17N5O4S2
InChI InChI=1S/C23H17N5O4S2/c1-14-21(22(29)27(26(14)2)15-6-4-3-5-7-15)24-13-17-9-11-20(32-17)34-23-25-18-10-8-16(28(30)31)12-19(18)33-23/h3-13H,1-2H3/b24-13+
InChIKey KDIKIKIKUCECJN-ZMOGYAJESA-N
Molecular Weight 491.540 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)\N=C\c1oc(Sc2nc3ccc(N(=O)=O)cc3s2)cc1
SPLASH splash10-0a4i-9200000000-e6709bbe8ac91ecf2c13
Synonyms 1,5-Dimethyl-4-[((E)-{5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-furyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 1,5-Dimethyl-4-[[5-(6-nitro-benzothiazol-2-ylsulfanyl)-furan-2-ylmethylene]-amino]-2-phenyl-1,2-dihydro-pyrazol-3-one
Wiley ID 1453821