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

Systemtic Name: N-(2-adamantyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C25H27N5OS/c31-22(27-23-19-10-16-9-17(12-19)13-20(23)11-16)15-32-25-29-28-24(18-5-4-8-26-14-18)30(25)21-6-2-1-3-7-21/h1-8,14,16-17,19-20,23H,9-13,15H2,(H,27,31)