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3-Thiophenecarbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-[(3-fluorophenyl)amino]-
SpectraBase Compound ID 2TOTpkxaWo8
InChI InChI=1S/C18H11ClFN3OS/c19-11-6-4-10(5-7-11)16(24)17-15(22)14(9-21)18(25-17)23-13-3-1-2-12(20)8-13/h1-8,23H,22H2
InChIKey PVYDXTDAZHYEQN-UHFFFAOYSA-N
Mol Weight 371.82 g/mol
Molecular Formula C18H11ClFN3OS
Exact Mass 371.029539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6tvIk3EiSU
Name 3-Thiophenecarbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-[(3-fluorophenyl)amino]-
Alternate Name(s) 4-Amino-5-[(4-chlorophenyl)-oxomethyl]-2-(3-fluoroanilino)-3-thiophenecarbonitrile 4-Azanyl-5-(4-chlorophenyl)carbonyl-2-[(3-fluorophenyl)amino]thiophene-3-carbonitrile
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Formula C18H11ClFN3OS
InChI InChI=1S/C18H11ClFN3OS/c19-11-6-4-10(5-7-11)16(24)17-15(22)14(9-21)18(25-17)23-13-3-1-2-12(20)8-13/h1-8,23H,22H2
InChIKey PVYDXTDAZHYEQN-UHFFFAOYSA-N
Molecular Weight 371.817 g/mol
SMILES Nc1c(c(sc1C(=O)c1ccc(cc1)Cl)Nc1cccc(c1)F)C#N
SPLASH splash10-03fr-8911000000-18a5bdbbf6104e6bcd28
Source of Spectrum IY-1-4464-5
Wiley ID 1652628