[1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]-(3,4-dichlorophenyl)-ethanethioyl-methyl-azanium

Systemtic Name: [1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]-(3,4-dichlorophenyl)-ethanethioyl-methyl-azanium Openeye Name: [2-(cyanomethylamino)-1-methyl-2-oxo-ethyl]-(3,4-dichlorophenyl)-ethanethioyl-methyl-ammonium CAS Name: [1-(cyanomethylamino)-1-oxopropan-2-yl]-(3,4-dichlorophenyl)-methyl-(1-sulfanylideneethyl)ammonium IUPAC Name: [1-(cyanomethylamino)-1-oxopropan-2-yl]-(3,4-dichlorophenyl)-ethanethioyl-methylazanium Traditional Name: [2-(cyanomethylamino)-2-keto-1-methyl-ethyl]-(3,4-dichlorophenyl)-methyl-thioacetyl-ammonium Formula: C14H16Cl2N3OS+ MolecularWeight: 345.26734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)[N+](C)(C1=CC(=C(C=C1)Cl)Cl)C(=S)C

Isomeric SMILES

CC(C(=O)NCC#N)[N+](C)(C1=CC(=C(C=C1)Cl)Cl)C(=S)C

InChI

InChI=1S/C14H15Cl2N3OS/c1-9(14(20)18-7-6-17)19(3,10(2)21)11-4-5-12(15)13(16)8-11/h4-5,8-9H,7H2,1-3H3/p+1