2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NN=C(N1C2CC2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CNC(=O)CSC1=NN=C(N1C2CC2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H34N4OS/c1-14(2)12-23-20(27)13-28-21-25-24-19(26(21)18-3-4-18)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h14-18H,3-13H2,1-2H3,(H,23,27)