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Guanidine, N-[1,5-dihydro-1-methyl-3-(methylthio)-5-thioxo-4H-1,2,4-triazol-4-yl]-N',N''-diphenyl-
SpectraBase Compound ID 2afhhOzdeig
InChI InChI=1S/C17H18N6S2/c1-22-17(24)23(16(21-22)25-2)20-15(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20)
InChIKey DJAVKQPLIVAKOC-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C17H18N6S2
Exact Mass 370.103437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgXoPb6Rb1k
Name Guanidine, N-[1,5-dihydro-1-methyl-3-(methylthio)-5-thioxo-4H-1,2,4-triazol-4-yl]-N',N''-diphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.103436952 u
Formula C17H18N6S2
InChI InChI=1S/C17H18N6S2/c1-22-17(24)23(16(21-22)25-2)20-15(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20)
InChIKey DJAVKQPLIVAKOC-UHFFFAOYSA-N
Molecular Weight 370.493 g/mol
SMILES C1(N(C(=NN1C)SC)N\C(=N/C=1C=CC=CC1)NC1=CC=CC=C1)=S