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3-Thiophenecarbonitrile, 4-amino-2-phenyl-5-(phenylthioxomethyl)-
SpectraBase Compound ID 1GXxNhXjja8
InChI InChI=1S/C18H12N2S2/c19-11-14-15(20)18(16(21)12-7-3-1-4-8-12)22-17(14)13-9-5-2-6-10-13/h1-10H,20H2
InChIKey NAFHXZVVCGRXAH-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C18H12N2S2
Exact Mass 320.044191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DqB2bctAWT
Name 3-Thiophenecarbonitrile, 4-amino-2-phenyl-5-(phenylthioxomethyl)-
Alternate Name(s) 3-Amino-4-cyano-5-phenyl-2-thiobenzoylthiophene 4-Amino-5-benzothioyl-2-phenyl-3-thiophenecarbonitrile
CAS Registry Number 122583-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2S2
InChI InChI=1S/C18H12N2S2/c19-11-14-15(20)18(16(21)12-7-3-1-4-8-12)22-17(14)13-9-5-2-6-10-13/h1-10H,20H2
InChIKey NAFHXZVVCGRXAH-UHFFFAOYSA-N
Molecular Weight 320.428 g/mol
SMILES Nc1c(C#N)c(sc1C(=S)c1ccccc1)-c1ccccc1
SPLASH splash10-00xr-0329000000-778c2ca1d67aa325ce1a
Source of Spectrum AJ-62-1090-11
Wiley ID 1320086