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4-Imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
SpectraBase Compound ID 3aANTCqtpoc
InChI InChI=1S/C21H22N4S2/c1-13-5-7-14(8-6-13)16-12-27-20(24-16)17-18(23)25-19(26)15(11-22)21(17)9-3-2-4-10-21/h5-8,12,17,26H,2-4,9-10H2,1H3,(H2,23,25)
InChIKey QGXCRUVIXCXSER-UHFFFAOYSA-N
Mol Weight 394.56 g/mol
Molecular Formula C21H22N4S2
Exact Mass 394.128589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLTwEDyI2ip
Name 4-Imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4S2
InChI InChI=1S/C21H22N4S2/c1-13-5-7-14(8-6-13)16-12-27-20(24-16)17-18(23)25-19(26)15(11-22)21(17)9-3-2-4-10-21/h5-8,12,17,26H,2-4,9-10H2,1H3,(H2,23,25)
InChIKey QGXCRUVIXCXSER-UHFFFAOYSA-N
Molecular Weight 394.555 g/mol
SMILES N1C(=C(C2(C(c3nc(-c4ccc(cc4)C)cs3)C1=N)CCCCC2)C#N)S
SPLASH splash10-02u1-2983000000-3569a6840f9851b530d4
Synonyms 8-Amino-7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carbonitrile 2-Amino-4-mercapto-1-[4-(4-methylphenyl)-2-thiazolyl]-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile 2-Amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile 2-Amino-1-[4-(p-tolyl)thiazol-2-yl]-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile 2-Azanyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile
Wiley ID 1462751