1-(1-adamantyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C27H29N3OS/c31-24(27-15-20-11-21(16-27)13-22(12-20)17-27)18-32-26-29-28-25(14-19-7-3-1-4-8-19)30(26)23-9-5-2-6-10-23/h1-10,20-22H,11-18H2