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N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-1,2,3-trimethyl-1H-indole-5-carboxamide
SpectraBase Compound ID 16nfA0NCeE7
InChI InChI=1S/C24H21ClN2OS/c1-15-16(2)27(3)22-13-8-17(14-20(15)22)24(28)26-21-6-4-5-7-23(21)29-19-11-9-18(25)10-12-19/h4-14H,1-3H3,(H,26,28)
InChIKey PZGYILMKNZSVAF-UHFFFAOYSA-N
Mol Weight 420.96 g/mol
Molecular Formula C24H21ClN2OS
Exact Mass 420.106312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l54T2gkNJh
Name N-{2-[(4-Chlorophenyl)sulfanyl]phenyl}-1,2,3-trimethyl-1H-indole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 420.106312177 u
Formula C24H21ClN2OS
InChI InChI=1S/C24H21ClN2OS/c1-15-16(2)27(3)22-13-8-17(14-20(15)22)24(28)26-21-6-4-5-7-23(21)29-19-11-9-18(25)10-12-19/h4-14H,1-3H3,(H,26,28)
InChIKey PZGYILMKNZSVAF-UHFFFAOYSA-N
Molecular Weight 420.958 g/mol
SMILES N(C1=C(SC=2C=CC(=CC2)Cl)C=CC=C1)C(C=1C=CC2=C(C1)C(=C(N2C)C)C)=O