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2-(1-benzothien-3-ylcarbonyl)-N-(3-methylphenyl)hydrazinecarbothioamide
SpectraBase Compound ID 5hbOFWtX7gO
InChI InChI=1S/C17H15N3OS2/c1-11-5-4-6-12(9-11)18-17(22)20-19-16(21)14-10-23-15-8-3-2-7-13(14)15/h2-10H,1H3,(H,19,21)(H2,18,20,22)
InChIKey YQIZCGAHWDDPQI-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C17H15N3OS2
Exact Mass 341.065654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz6r81SGRIe
Name 2-(1-Benzothien-3-ylcarbonyl)-N-(3-methylphenyl)hydrazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 341.065654462 u
Formula C17H15N3OS2
InChI InChI=1S/C17H15N3OS2/c1-11-5-4-6-12(9-11)18-17(22)20-19-16(21)14-10-23-15-8-3-2-7-13(14)15/h2-10H,1H3,(H,19,21)(H2,18,20,22)
InChIKey YQIZCGAHWDDPQI-UHFFFAOYSA-N
Molecular Weight 341.447 g/mol
SMILES N(C(C1=CSC2=C1C=CC=C2)=O)NC(NC=1C=C(C)C=CC1)=S