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

Systemtic Name: N-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C21H26N4OS/c1-14(27-20-24-22-13-25(20)18-5-3-2-4-6-18)19(26)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,13-17H,7-12H2,1H3,(H,23,26)