N-[1-(5-oxidanylidene-3-thiophen-2-yl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide

Systemtic Name: N-[1-(5-oxidanylidene-3-thiophen-2-yl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide Openeye Name: N-[1-[5-oxo-3-(2-thienyl)-2H-1,2,4-triazin-6-yl]propyl]adamantane-1-carboxamide CAS Name: N-[1-(5-oxo-3-thiophen-2-yl-2H-1,2,4-triazin-6-yl)propyl]-1-adamantanecarboxamide IUPAC Name: N-[1-(5-oxo-3-thiophen-2-yl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide Traditional Name: N-[1-[5-keto-3-(2-thienyl)-2H-1,2,4-triazin-6-yl]propyl]adamantane-1-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O2S/c1-2-15(17-19(26)23-18(25-24-17)16-4-3-5-28-16)22-20(27)21-9-12-6-13(10-21)8-14(7-12)11-21/h3-5,12-15H,2,6-11H2,1H3,(H,22,27)(H,23,25,26)