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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(azocan-1-yl)ethanone Formula: C14H22N4OS2 MolecularWeight: 326.48068

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)N2CCCCCCC2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)N2CCCCCCC2

InChI

InChI=1S/C14H22N4OS2/c1-2-8-15-13-16-17-14(21-13)20-11-12(19)18-9-6-4-3-5-7-10-18/h2H,1,3-11H2,(H,15,16)