2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2,4-dichlorophenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2,4-dichlorophenyl)ethanone Formula: C26H25Cl2N3OS MolecularWeight: 498.4672

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C26H25Cl2N3OS/c27-19-6-7-21(22(28)11-19)23(32)15-33-25-30-29-24(31(25)20-4-2-1-3-5-20)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2