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

Systemtic Name: N-(1-adamantyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-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)(C3)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

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

InChI

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