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2-Amino-3-phenyl-4-thioxo-(5H)-[1]benzothiopyran[3,4-c]pyridine-1-carbonitrile
SpectraBase Compound ID HQADcTXU9aL
InChI InChI=1S/C19H13N3S2/c20-10-14-17-13-8-4-5-9-16(13)24-11-15(17)19(23)22(18(14)21)12-6-2-1-3-7-12/h1-9H,11,21H2
InChIKey LIRIHOAVIYNGRD-UHFFFAOYSA-N
Mol Weight 347.45 g/mol
Molecular Formula C19H13N3S2
Exact Mass 347.05509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSIrwrh2J61
Name 2-Amino-3-phenyl-4-thioxo-(5H)-[1]benzothiopyran[3,4-c]pyridine-1-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13N3S2
InChI InChI=1S/C19H13N3S2/c20-10-14-17-13-8-4-5-9-16(13)24-11-15(17)19(23)22(18(14)21)12-6-2-1-3-7-12/h1-9H,11,21H2
InChIKey LIRIHOAVIYNGRD-UHFFFAOYSA-N
Molecular Weight 347.454 g/mol
SMILES NC1=C(C2=C(C(=S)N1c1ccccc1)CSc1c2cccc1)C#N
SPLASH splash10-01ot-0019000000-3471cdf06aae9def224f
Source of Spectrum Y1-42-1989-29
Synonyms 2-Amino-3-phenyl-4-sulfanylidene-5H-thiochromeno[3,4-c]pyridine-1-carbonitrile 2-Azanyl-3-phenyl-4-sulfanylidene-5H-thiochromeno[3,4-c]pyridine-1-carbonitrile
Wiley ID 1565304