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3,5-Diamino-4-cyano-N'-[1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene]thiophene-2-carbohydrazide
SpectraBase Compound ID 1786nF91SCG
InChI InChI=1S/C19H22N6O3S2/c1-12(23-24-19(26)17-16(21)15(11-20)18(22)29-17)13-5-7-14(8-6-13)30(27,28)25-9-3-2-4-10-25/h5-8H,2-4,9-10,21-22H2,1H3,(H,24,26)/b23-12+
InChIKey JPIAWDYCFKLDSB-FSJBWODESA-N
Mol Weight 446.54 g/mol
Molecular Formula C19H22N6O3S2
Exact Mass 446.119481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWTqn8d8nDO
Name 3,5-Diamino-4-cyano-N'-[1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene]thiophene-2-carbohydrazide
Alternate Name(s) 3,5-diamino-4-cyano-N-[(E)-1-[4-(1-piperidinylsulfonyl)phenyl]ethylideneamino]-2-thiophenecarboxamide 3,5-diamino-4-cyano-N-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]thiophene-2-carboxamide 3,5-diamino-4-cyano-N-[(E)-1-[4-(1-piperidylsulfonyl)phenyl]ethylideneamino]thiophene-2-carboxamide 3,5-bis(azanyl)-4-cyano-N-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]thiophene-2-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C19H22N6O3S2
InChI InChI=1S/C19H22N6O3S2/c1-12(23-24-19(26)17-16(21)15(11-20)18(22)29-17)13-5-7-14(8-6-13)30(27,28)25-9-3-2-4-10-25/h5-8H,2-4,9-10,21-22H2,1H3,(H,24,26)/b23-12+
InChIKey JPIAWDYCFKLDSB-FSJBWODESA-N
Molecular Weight 446.544 g/mol
SMILES Nc1sc(C(N\N=C\(c2ccc(S(N3CCCCC3)(=O)=O)cc2)C)=O)c(c1C#N)N
SPLASH splash10-001i-9000000000-2cc2a925ea95ef77f39b
Source of Spectrum F2-46-140-18
Wiley ID 1690184