1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C18H27N3OS2 MolecularWeight: 365.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N3OS2/c1-2-3-4-19-16-20-21-17(24-16)23-11-15(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,2-11H2,1H3,(H,19,20)