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

Systemtic Name: 1-(azepan-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-(azepan-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-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-(azepan-1-yl)ethanone Formula: C13H20N4OS2 MolecularWeight: 312.4541

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H20N4OS2/c1-2-7-14-12-15-16-13(20-12)19-10-11(18)17-8-5-3-4-6-9-17/h2H,1,3-10H2,(H,14,15)