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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

InChI

InChI=1S/C25H27N5O3S/c31-21(26-23(32)27-25-12-16-9-17(13-25)11-18(10-16)14-25)15-34-24-29-28-22(20-7-4-8-33-20)30(24)19-5-2-1-3-6-19/h1-8,16-18H,9-15H2,(H2,26,27,31,32)