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

Systemtic Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H27BrN4OS MolecularWeight: 523.48778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4OS/c27-21-6-4-5-20(12-21)24-29-30-25(31(24)22-7-2-1-3-8-22)33-16-23(32)28-26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-16H2,(H,28,32)