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

Systemtic Name: N-(1-adamantyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H28N4OS2 MolecularWeight: 464.64602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C25H28N4OS2/c30-22(26-25-12-18-9-19(13-25)11-20(10-18)14-25)16-32-24-28-27-23(21-7-4-8-31-21)29(24)15-17-5-2-1-3-6-17/h1-8,18-20H,9-16H2,(H,26,30)