1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H29N3OS/c1-3-26-21(19-7-5-4-6-8-19)24-25-22(26)28-15(2)20(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,15-18H,3,9-14H2,1-2H3