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Benzenepropanethioamide, N-phenyl-.alpha.,.beta.-bis(phenylimino)-
SpectraBase Compound ID 1r5aa2bV6jv
InChI InChI=1S/C27H21N3S/c31-27(30-24-19-11-4-12-20-24)26(29-23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)28-22-15-7-2-8-16-22/h1-20H,(H,30,31)/b28-25+,29-26-
InChIKey CZTRMKXRQKYRBJ-MGZNUUIQSA-N
Mol Weight 419.55 g/mol
Molecular Formula C27H21N3S
Exact Mass 419.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA0Cnf3klr9
Name Benzenepropanethioamide, N-phenyl-.alpha.,.beta.-bis(phenylimino)-
CAS Registry Number 80874-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3S
InChI InChI=1S/C27H21N3S/c31-27(30-24-19-11-4-12-20-24)26(29-23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)28-22-15-7-2-8-16-22/h1-20H,(H,30,31)/b28-25+,29-26-
InChIKey CZTRMKXRQKYRBJ-MGZNUUIQSA-N
Molecular Weight 419.546 g/mol
SMILES N(C(\C(\C(=N\c1ccccc1)c1ccccc1)=N/c1ccccc1)=S)c1ccccc1
SPLASH splash10-001i-0900100000-bfb58213e03752db80da
Source of Spectrum AH-112-1410-0
Synonyms (2Z,3E)-N,3-diphenyl-2,3-bis(phenylimino)propanethioamide 3-Anilinothiocarbonyl-1,2,4-triphenyl-1,4-diazabutadiene
Wiley ID 1377671