N'-(1-adamantylcarbonyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carbohydrazide

Systemtic Name: N'-(1-adamantylcarbonyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carbohydrazide Openeye Name: N'-(adamantane-1-carbonyl)-1-benzyl-3-(2-thienyl)pyrazole-4-carbohydrazide CAS Name: N'-[1-adamantyl(oxo)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarbohydrazide IUPAC Name: N'-(adamantane-1-carbonyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carbohydrazide Traditional Name: N'-(adamantane-1-carbonyl)-1-benzyl-3-(2-thienyl)pyrazole-4-carbohydrazide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CN(N=C4C5=CC=CS5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CN(N=C4C5=CC=CS5)CC6=CC=CC=C6

InChI

InChI=1S/C26H28N4O2S/c31-24(27-28-25(32)26-12-18-9-19(13-26)11-20(10-18)14-26)21-16-30(15-17-5-2-1-3-6-17)29-23(21)22-7-4-8-33-22/h1-8,16,18-20H,9-15H2,(H,27,31)(H,28,32)