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

Systemtic Name: N-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4OS/c32-23(29-27-14-18-11-19(15-27)13-20(12-18)16-27)17-33-26-28-24(21-7-3-1-4-8-21)25(30-31-26)22-9-5-2-6-10-22/h1-10,18-20H,11-17H2,(H,29,32)