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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H23N3OS2/c1-2-3-18-15-19-20-16(23-15)22-10-14(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h2,11-13H,1,3-10H2,(H,18,19)