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

Systemtic Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-propyl-pentanoate; trimethylazanium Openeye Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-propyl-pentanoate; trimethylammonium CAS Name: 4-(benzenecarbonothioylthio)-4-cyano-2-propylpentanoate; trimethylammonium IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-propylpentanoate; trimethylazanium Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-2-propyl-valerate; trimethylammonium Formula: C19H28N2O2S2 MolecularWeight: 380.56782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2S2.C3H9N/c1-3-7-13(14(18)19)10-16(2,11-17)21-15(20)12-8-5-4-6-9-12;1-4(2)3/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,18,19);1-3H3