3-(dicyclohexylamino)-2-(2-prop-2-enylsulfanylethanimidoyl)-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-(dicyclohexylamino)-2-(2-prop-2-enylsulfanylethanimidoyl)-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 2-(2-allylsulfanylethanimidoyl)-3-(dicyclohexylamino)oxadiazol-3-ium-5-one CAS Name: 3-(dicyclohexylamino)-2-[1-imino-2-(prop-2-enylthio)ethyl]-5-oxadiazol-3-iumone IUPAC Name: 3-(dicyclohexylamino)-2-(2-prop-2-enylsulfanylethanimidoyl)oxadiazol-3-ium-5-one Traditional Name: 2-[2-(allylthio)acetimidoyl]-3-(dicyclohexylamino)oxadiazol-3-ium-5-one Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(=N)N1[N+](=CC(=O)O1)N(C2CCCCC2)C3CCCCC3

Isomeric SMILES

C=CCSCC(=N)N1[N+](=CC(=O)O1)N(C2CCCCC2)C3CCCCC3

InChI

InChI=1S/C19H31N4O2S/c1-2-13-26-15-18(20)23-21(14-19(24)25-23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2,14,16-17,20H,1,3-13,15H2/q+1