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3-Thiophenecarbonitrile, 4-amino-2-(diethylamino)-5-(phenylthioxomethyl)-
SpectraBase Compound ID 715yEuuf9ET
InChI InChI=1S/C16H17N3S2/c1-3-19(4-2)16-12(10-17)13(18)15(21-16)14(20)11-8-6-5-7-9-11/h5-9H,3-4,18H2,1-2H3
InChIKey REIMCVXUSMUZDB-UHFFFAOYSA-N
Mol Weight 315.45 g/mol
Molecular Formula C16H17N3S2
Exact Mass 315.08639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iUNOLeGnsC
Name 3-Thiophenecarbonitrile, 4-amino-2-(diethylamino)-5-(phenylthioxomethyl)-
Alternate Name(s) 3-Amino-4-cyano-5-diethylamino-2-thiobenzoylthiophene 4-Amino-5-benzothioyl-2-(diethylamino)-3-thiophenecarbonitrile
CAS Registry Number 122583-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3S2
InChI InChI=1S/C16H17N3S2/c1-3-19(4-2)16-12(10-17)13(18)15(21-16)14(20)11-8-6-5-7-9-11/h5-9H,3-4,18H2,1-2H3
InChIKey REIMCVXUSMUZDB-UHFFFAOYSA-N
Molecular Weight 315.453 g/mol
SMILES Nc1c(C#N)c(sc1C(=S)c1ccccc1)N(CC)CC
SPLASH splash10-01bc-0679000000-79e483d1c3ee5a5d1461
Source of Spectrum AJ-62-1090-11
Wiley ID 1315921