N-(1-adamantylcarbamoyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H29N5O3S MolecularWeight: 491.60516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(N4CC5=CC=CO5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(N4CC5=CC=CO5)C6=CC=CC=C6

InChI

InChI=1S/C26H29N5O3S/c32-22(27-24(33)28-26-12-17-9-18(13-26)11-19(10-17)14-26)16-35-25-30-29-23(20-5-2-1-3-6-20)31(25)15-21-7-4-8-34-21/h1-8,17-19H,9-16H2,(H2,27,28,32,33)