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2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenylhydrazinecarbothioamide

View entire compound with spectra: 2 NMR

2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenylhydrazinecarbothioamide
SpectraBase Compound ID BY3SSsH12re
InChI InChI=1S/C18H18N6OS2/c1-24-16(13-8-4-2-5-9-13)21-23-18(24)27-12-15(25)20-22-17(26)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)(H2,19,22,26)
InChIKey LSBJWLIDHBSYRJ-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C18H18N6OS2
Exact Mass 398.098352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTt9CkBm7LL
Name 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenylhydrazinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.098351571 u
Formula C18H18N6OS2
InChI InChI=1S/C18H18N6OS2/c1-24-16(13-8-4-2-5-9-13)21-23-18(24)27-12-15(25)20-22-17(26)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)(H2,19,22,26)
InChIKey LSBJWLIDHBSYRJ-UHFFFAOYSA-N
Molecular Weight 398.503 g/mol
SMILES C=1C=CC(C=2N(C(=NN2)SCC(NNC(NC2=CC=CC=C2)=S)=O)C)=CC1