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Benzenepropanethioamide, 4-chloro-N-phenyl-.alpha.,.beta.-bis(phenylimino)-
SpectraBase Compound ID 996030C53Lq
InChI InChI=1S/C27H20ClN3S/c28-21-18-16-20(17-19-21)25(29-22-10-4-1-5-11-22)26(30-23-12-6-2-7-13-23)27(32)31-24-14-8-3-9-15-24/h1-19H,(H,31,32)/b29-25+,30-26-
InChIKey DVSYWKQXLGVTGI-LQJPZNDESA-N
Mol Weight 453.99 g/mol
Molecular Formula C27H20ClN3S
Exact Mass 453.106647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JP5hAaMEJy
Name Benzenepropanethioamide, 4-chloro-N-phenyl-.alpha.,.beta.-bis(phenylimino)-
Alternate Name(s) (2Z,3E)-3-(4-chlorophenyl)-N-phenyl-2,3-bis(phenylimino)propanethioamide 3-Anilinothiocarbonyl-1,4-diphenyl-2-p-chlorophenyl-1,4-diazabutadiene
CAS Registry Number 80858-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20ClN3S
InChI InChI=1S/C27H20ClN3S/c28-21-18-16-20(17-19-21)25(29-22-10-4-1-5-11-22)26(30-23-12-6-2-7-13-23)27(32)31-24-14-8-3-9-15-24/h1-19H,(H,31,32)/b29-25+,30-26-
InChIKey DVSYWKQXLGVTGI-LQJPZNDESA-N
Molecular Weight 453.991 g/mol
SMILES N(C(\C(\C(=N\c1ccccc1)c1ccc(cc1)Cl)=N/c1ccccc1)=S)c1ccccc1
SPLASH splash10-01t9-9161200000-a92e1ce62cf79ca3a319
Source of Spectrum AH-112-1411-0
Wiley ID 1388530