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

Systemtic Name: 1-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3OS/c31-23(27-14-18-11-19(15-27)13-20(12-18)16-27)17-32-26-28-24(21-7-3-1-4-8-21)25(29-30-26)22-9-5-2-6-10-22/h1-10,18-20H,11-17H2