4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoate; trimethylazanium

Systemtic Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoate; trimethylazanium Openeye Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoate; trimethylammonium CAS Name: 4-(benzenecarbonothioylthio)-4-cyano-2-ethylpentanoate; trimethylammonium IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethylpentanoate; trimethylazanium Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-2-ethyl-valerate; trimethylammonium Formula: C18H26N2O2S2 MolecularWeight: 366.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C#N)SC(=S)C1=CC=CC=C1)C(=O)[O-].C[NH+](C)C

Isomeric SMILES

CCC(CC(C)(C#N)SC(=S)C1=CC=CC=C1)C(=O)[O-].C[NH+](C)C

InChI

InChI=1S/C15H17NO2S2.C3H9N/c1-3-11(13(17)18)9-15(2,10-16)20-14(19)12-7-5-4-6-8-12;1-4(2)3/h4-8,11H,3,9H2,1-2H3,(H,17,18);1-3H3