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

Systemtic Name: N-(1-adamantyl)-2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c28-8-4-7-20-25-26-22(27(20)19-5-2-1-3-6-19)30-15-21(29)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-3,5-6,16-18,28H,4,7-15H2,(H,24,29)