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6-Amino-8-(4-methylphenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID 8d3iIOpLsu8
InChI InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey WGMBQYIBNHRLRP-UHFFFAOYSA-N
Mol Weight 332.43 g/mol
Molecular Formula C19H16N4S
Exact Mass 332.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EbX2SfBdMn
Name 6-Amino-8-(4-methylphenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Alternate Name(s) 6-Amino-8-(4-methylphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile 6-Amino-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile 6-Amino-8-(p-tolyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile 6-Azanyl-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
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Formula C19H16N4S
InChI InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey WGMBQYIBNHRLRP-UHFFFAOYSA-N
Molecular Weight 332.425 g/mol
SMILES NC1=C(C#N)C=2C(C(C1(C#N)C#N)c1ccc(cc1)C)CSCC2
SPLASH splash10-053r-4941000000-fd1953a495e7bec88316
Wiley ID 1452080