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trans-7-Benzylidene-3,3a,4,5,6,7-hexahydro-3-phenyl-2-thiocarbamoyl-2H-indazole
SpectraBase Compound ID 90iPK4Vv1Ub
InChI InChI=1S/C21H21N3S/c22-21(25)24-20(16-10-5-2-6-11-16)18-13-7-12-17(19(18)23-24)14-15-8-3-1-4-9-15/h1-6,8-11,14,18,20H,7,12-13H2,(H2,22,25)/b17-14+/t18-,20-/m0/s1
InChIKey HOPJYLKOMWOWSH-QOTSGZDISA-N
Mol Weight 347.48 g/mol
Molecular Formula C21H21N3S
Exact Mass 347.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfHZO2P0iuj
Name trans-7-Benzylidene-3,3a,4,5,6,7-hexahydro-3-phenyl-2-thiocarbamoyl-2H-indazole
Alternate Name(s) (3R,3aR,E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide (3R,3aR,7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide (3R,3aR,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide (3R,3aR,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3S
InChI InChI=1S/C21H21N3S/c22-21(25)24-20(16-10-5-2-6-11-16)18-13-7-12-17(19(18)23-24)14-15-8-3-1-4-9-15/h1-6,8-11,14,18,20H,7,12-13H2,(H2,22,25)/b17-14+/t18-,20-/m0/s1
InChIKey HOPJYLKOMWOWSH-QOTSGZDISA-N
Literature Reference DOI 10.1002/ardp.200300796
Molecular Weight 347.480 g/mol
SMILES NC(N1N=C2\C(CCC[C@@]2([C@@]1(c1ccccc1)[H])[H])=C\c1ccccc1)=S
SPLASH splash10-0103-4790000000-99b25dbff8f031815df6
Source of Spectrum APP-336-558-2
Wiley ID 1770688