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3-Thiophenecarbonitrile, 4-amino-2-[(4-fluorophenyl)amino]-5-(4-methylbenzoyl)-
SpectraBase Compound ID C3ktzwxsH1q
InChI InChI=1S/C19H14FN3OS/c1-11-2-4-12(5-3-11)17(24)18-16(22)15(10-21)19(25-18)23-14-8-6-13(20)7-9-14/h2-9,23H,22H2,1H3
InChIKey MQHASICSUWEZKU-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C19H14FN3OS
Exact Mass 351.084161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5bTyt80oy1
Name 3-Thiophenecarbonitrile, 4-amino-2-[(4-fluorophenyl)amino]-5-(4-methylbenzoyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14FN3OS
InChI InChI=1S/C19H14FN3OS/c1-11-2-4-12(5-3-11)17(24)18-16(22)15(10-21)19(25-18)23-14-8-6-13(20)7-9-14/h2-9,23H,22H2,1H3
InChIKey MQHASICSUWEZKU-UHFFFAOYSA-N
Molecular Weight 351.399 g/mol
SMILES Nc1c(c(sc1C(=O)c1ccc(cc1)C)Nc1ccc(cc1)F)C#N
SPLASH splash10-0udi-3319000000-bcbef66386ac4237c9c1
Source of Spectrum IY-1-4466-5
Synonyms 4-Amino-2-(4-fluoroanilino)-5-[(4-methylphenyl)-oxomethyl]-3-thiophenecarbonitrile 4-Amino-2-(4-fluoroanilino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile 4-Azanyl-2-[(4-fluorophenyl)amino]-5-(4-methylphenyl)carbonyl-thiophene-3-carbonitrile
Wiley ID 1652648