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2-Cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide

View entire compound with spectra: 1 MS (GC)

2-Cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
SpectraBase Compound ID IgNu1vNuHPh
InChI InChI=1S/C28H22N6O2S/c1-19-24(27(36)34(32(19)2)22-16-10-5-11-17-22)30-25(35)23(18-29)28-33(21-14-8-4-9-15-21)31-26(37-28)20-12-6-3-7-13-20/h3-17H,1-2H3,(H,30,35)/b28-23-
InChIKey WELZQYNMMZQMJX-NFFVHWSESA-N
Mol Weight 506.58 g/mol
Molecular Formula C28H22N6O2S
Exact Mass 506.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S7H8CVOBcj
Name 2-Cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
Alternate Name(s) (Z)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N6O2S
InChI InChI=1S/C28H22N6O2S/c1-19-24(27(36)34(32(19)2)22-16-10-5-11-17-22)30-25(35)23(18-29)28-33(21-14-8-4-9-15-21)31-26(37-28)20-12-6-3-7-13-20/h3-17H,1-2H3,(H,30,35)/b28-23-
InChIKey WELZQYNMMZQMJX-NFFVHWSESA-N
Molecular Weight 506.584 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)C(\C(=C\1N(N=C(S1)c1ccccc1)c1ccccc1)C#N)=O
SPLASH splash10-056r-9040000000-6d2138f4502e40d37efa
Source of Spectrum F4-61-509-17
Wiley ID 1737127