4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoate; trimethylazanium

Systemtic Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoate; trimethylazanium Openeye Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoate; trimethylammonium CAS Name: 4-(benzenecarbonothioylthio)-2-(1-chloroethyl)-4-cyanopentanoate; trimethylammonium IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyanopentanoate; trimethylazanium Traditional Name: 4-(benzenecarbonothioylthio)-2-(1-chloroethyl)-4-cyano-valerate; trimethylammonium Formula: C18H25ClN2O2S2 MolecularWeight: 400.9863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO2S2.C3H9N/c1-10(16)12(13(18)19)8-15(2,9-17)21-14(20)11-6-4-3-5-7-11;1-4(2)3/h3-7,10,12H,8H2,1-2H3,(H,18,19);1-3H3