N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]adamantane-1-carbohydrazide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C21H27N5O2S2/c1-2-26-18(16-4-3-5-29-16)23-25-20(26)30-12-17(27)22-24-19(28)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-5,13-15H,2,6-12H2,1H3,(H,22,27)(H,24,28)