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N-[3,4-Bis(phenylmethyl)-1,2,4-thiadiazol-5(4H)-ylidene]-4-methylbenzenesulfonamide
SpectraBase Compound ID Cw1PCjA0c81
InChI InChI=1S/C23H21N3O2S2/c1-18-12-14-21(15-13-18)30(27,28)25-23-26(17-20-10-6-3-7-11-20)22(24-29-23)16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3/b25-23-
InChIKey QMNDZYRODFFUIA-BZZOAKBMSA-N
Mol Weight 435.56 g/mol
Molecular Formula C23H21N3O2S2
Exact Mass 435.107519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jhZyGCMRrt
Name N-[3,4-bis(Phenylmethyl)-1,2,4-thiadiazol-5(4H)-ylidene]-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 435.107519274 u
Formula C23H21N3O2S2
InChI InChI=1S/C23H21N3O2S2/c1-18-12-14-21(15-13-18)30(27,28)25-23-26(17-20-10-6-3-7-11-20)22(24-29-23)16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3/b25-23-
InChIKey QMNDZYRODFFUIA-BZZOAKBMSA-N
Molecular Weight 435.560 g/mol
SMILES C=1(N(\C(SN1)=N\S(C1=CC=C(C=C1)C)(=O)=O)CC=1C=CC=CC1)CC=1C=CC=CC1