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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5O2S2 MolecularWeight: 471.63866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

InChI

InChI=1S/C23H29N5O2S2/c29-20(24-21(30)25-23-10-14-6-15(11-23)8-16(7-14)12-23)13-32-22-27-26-19(28(22)17-3-4-17)9-18-2-1-5-31-18/h1-2,5,14-17H,3-4,6-13H2,(H2,24,25,29,30)