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

Systemtic Name: 1-(1-adamantyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H23N3OS/c1-10-17-18-15(19(10)2)21-9-14(20)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-9H2,1-2H3