N-(1-adamantyl)-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C29H34N4OS/c34-27(30-29-16-23-13-24(17-29)15-25(14-23)18-29)20-35-28-32-31-26(12-11-21-7-3-1-4-8-21)33(28)19-22-9-5-2-6-10-22/h1-10,23-25H,11-20H2,(H,30,34)