N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[6-(2-aminophenyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=O)C(=NN4)C5=CC=CC=C5N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=O)C(=NN4)C5=CC=CC=C5N

InChI

InChI=1S/C21H25N5O2S/c22-16-4-2-1-3-15(16)18-19(28)23-20(26-25-18)29-11-17(27)24-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11,22H2,(H,24,27)(H,23,26,28)